data_2m63_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 2m63 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.984 -0.846 . . . . 64.25 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' HD11 ' A' ' 113' ' ' LEU . 18.1 Cg_endo -74.95 -167.38 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 62.450000000000003 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.52 168.49 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.43 109.999 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -63.21 -54.79 42.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 73.140000000000001 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.11 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 75.340000000000003 111.037 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -55.53 -42.52 74.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 110.007 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -67.61 -24.35 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 63.240000000000002 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.84 -35.91 64.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 111.015 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 75.530000000000001 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.401 ' CD1' ' SG ' ' A' ' 109' ' ' CYS . 40.6 mt -71.48 -21.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 74.019999999999996 109.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 47' ' ' VAL . 3.0 mt -71.07 -59.43 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 62.030000000000001 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.31 -6.43 53.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 61.119999999999997 110.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.34 6.38 44.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 73.340000000000003 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.76 -64.65 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.328 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.73 136.0 1.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 65.120000000000005 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 31.0 tp60 -35.88 -67.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 72.430000000000007 110.248 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -55.97 -38.0 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 72.219999999999999 109.327 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 tptt -48.53 -31.15 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 75.140000000000001 109.349 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.59 -50.0 28.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 71.319999999999993 109.299 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.0 mt -54.62 -46.43 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.530000000000001 109.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -55.64 -75.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.400000000000006 111.027 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 29.2 mt -40.79 -56.14 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.5 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CE ' ' CD1' ' A' ' 51' ' ' LEU . 2.3 ttmt -43.6 -63.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.273 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 88.1 m-70 -52.58 -27.24 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.59 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.9 tttp -79.49 -28.79 41.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 4.1 mt -78.34 -25.46 46.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.4 mmtt -39.85 -33.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 65.549999999999997 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -113.66 94.72 33.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 75.209999999999994 110.366 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.89 42.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 72.530000000000001 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -97.65 158.73 32.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 75.319999999999993 110.282 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 75.430000000000007 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.87 24.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 111.021 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.48 127.12 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.998 . . . . 73.239999999999995 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.26 0.44 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.64 -28.79 6.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -79.2 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 75.219999999999999 110.338 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 9.3 t0 -44.66 -39.71 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 26.9 tp -66.23 -47.69 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 6.3 tp -61.06 -28.7 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.019999999999996 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 9.1 t-160 -57.79 -46.37 84.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 73.549999999999997 109.593 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . -71.58 -32.97 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.447 ' HE2' ' CD2' ' A' ' 12' ' ' PHE . 81.2 mtp -74.89 -12.93 60.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 110.993 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 75.2 t -95.25 -30.13 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 74.310000000000002 109.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 1.2 mm? -56.52 -51.37 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 109.313 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 45' ' ' ALA . 1.4 mm? -50.38 -52.36 37.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.310000000000002 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 7.1 mmmt -40.29 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.485 ' CD1' ' CE ' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -91.53 -44.06 9.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 73.510000000000005 109.264 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.52 13.87 7.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 111.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.91 84.02 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 73.299999999999997 110.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.1 pt-20 -76.47 -19.92 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 64.219999999999999 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.87 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 110.389 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -90.07 -45.77 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.450000000000003 110.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 61' ' ' LEU . . . -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 65.129999999999995 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.01 -44.84 91.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 75.450000000000003 110.343 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -64.23 -56.14 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 75.310000000000002 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.5 -53.02 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.150000000000006 110.001 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 6.1 mt -54.21 -48.65 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 75.099999999999994 109.299 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -63.08 -12.75 28.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 110.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.56 13.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 109.324 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 70' ' ' ALA . 4.6 mt -129.49 47.74 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 72.329999999999998 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -47.65 -34.31 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.019999999999996 109.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.58 -57.22 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.109999999999999 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.42 122.28 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 74.340000000000003 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.4 -12.87 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.46 HG22 ' CB ' ' A' ' 91' ' ' ASP . 51.3 t -76.51 -17.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 63.25 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 64' ' ' LEU . . . -82.51 -41.72 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 73.140000000000001 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -68.24 -18.81 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.484 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -93.72 -23.39 18.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.5 109.336 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.502 HG12 ' CE3' ' A' ' 77' ' ' TRP . 4.4 t -82.19 -6.3 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.253 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.26 -36.22 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 73.129999999999995 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.484 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 6.8 ptt-85 -98.8 -5.52 31.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.540000000000006 110.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.9 tp60 -89.09 -45.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.450000000000003 110.365 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.779 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.1 m-90 -109.51 -61.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 108.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -47.3 -24.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.340000000000003 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 74.32 19.21 79.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.444 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.6 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 64.349999999999994 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.32 -0.252 . . . . 75.519999999999996 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.472 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.98 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 74.230000000000004 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.1 13.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 72.439999999999998 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.582 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 53.0 m-20 -101.08 26.21 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.219999999999999 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -43.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 75.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.4 m -106.23 -35.3 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 71.099999999999994 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' OD1' ' A' ' 91' ' ' ASP . 3.3 t90 -46.32 -53.14 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.99 -1.115 . . . . 74.439999999999998 107.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.14 -33.31 65.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 72.200000000000003 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' SER . 16.5 t -72.34 -22.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.297 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.38 -34.13 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 73.340000000000003 109.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.437 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 16.3 mtt180 -80.06 -31.77 39.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 75.239999999999995 110.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 43' ' ' LEU . 1.8 tp -66.56 -44.8 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 8.0 m-85 -71.38 -23.12 61.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.412 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 4.4 t60 -60.13 -23.61 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 109.579 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -96.87 -26.66 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 74.349999999999994 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.427 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 90.8 mt -67.33 -28.94 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.019999999999996 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.519 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -76.13 -3.2 34.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 55.149999999999999 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.76 -20.14 16.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.099999999999994 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 26' ' ' LEU . 2.2 pt-20 -106.19 7.49 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 63.039999999999999 110.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 58.47 50.94 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 75.010000000000005 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.407 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 19.0 mt -109.17 -30.69 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.329999999999998 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -152.59 145.49 17.41 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 108.318 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.36 38.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 65.430000000000007 111.039 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.08 -25.59 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.25 109.263 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.7 m -45.63 -35.15 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.420000000000002 110.014 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.434 HD11 ' CD ' ' A' ' 6' ' ' PRO . 2.9 mm? -77.53 -51.57 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 75.019999999999996 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 15.0 ttm180 -50.42 -24.81 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 75.5 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.524 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.71 -69.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 75.120000000000005 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 115' ' ' ASP . 91.6 t -39.84 -38.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 75.030000000000001 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.1 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.327 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -49.81 -38.59 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.5 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.68 -57.19 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 71.430000000000007 110.352 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -53.43 -21.74 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.049999999999997 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.83 -23.7 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 71.510000000000005 109.297 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.509 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 3.4 t -82.56 -22.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 75.400000000000006 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -31.82 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 75.340000000000003 110.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.9 t -71.19 -40.51 71.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 71.329999999999998 110.407 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.562 HD11 ' CE3' ' A' ' 94' ' ' TRP . 90.1 mt -75.39 -36.79 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 133' ' ' LEU . 5.8 m -71.56 -37.63 71.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -64.8 -36.3 83.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 74.219999999999999 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.426 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 1.2 ptt85 -103.74 5.38 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.120000000000005 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 17.1 t0 40.46 49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.426 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 30.7 t0 -53.93 178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.140000000000001 109.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -90.33 -5.65 55.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 74.510000000000005 109.63 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.69 5.05 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -51.77 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 75.549999999999997 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.527 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -48.68 -34.32 14.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 65.540000000000006 110.966 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -34.76 78.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 72.540000000000006 110.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 49.3 tp -75.75 -35.92 60.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.509 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 38.9 mm-40 -66.47 -16.29 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.010000000000005 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -106.48 -18.57 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 71.329999999999998 109.307 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.74 -59.65 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 75.129999999999995 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -52.22 -20.97 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 75.329999999999998 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLY . 35.4 mtm180 -85.68 -59.89 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.019999999999996 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.67 -22.78 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 143' ' ' ARG . 5.6 mmp_? -83.61 -78.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.36 -55.68 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 73.010000000000005 108.339 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.55 64.37 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 72.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -147.46 -169.06 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.997 -1.112 . . . . 75.310000000000002 107.997 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -117.51 60.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 64.540000000000006 109.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.58 HD11 ' CH2' ' A' ' 146' ' ' TRP . 6.7 tt -63.55 -37.38 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.259 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -43.01 -31.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.439999999999998 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 53.439999999999998 111.025 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.99 -0.844 . . . . 63.020000000000003 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 18.5 Cg_endo -75.0 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 74.299999999999997 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.51 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 6.8 p -179.9 157.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.999 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.554 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -56.82 -49.44 93.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 61.32 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -21.95 15.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 61.130000000000003 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.51 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 7.0 t -63.73 -39.96 95.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 110.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -70.35 -26.87 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 55.229999999999997 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -75.13 -34.3 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 62.119999999999997 111.026 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.53 -39.83 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 74.200000000000003 109.343 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.64 -21.17 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.29 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -68.59 -58.78 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.540000000000006 109.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -7.18 52.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 74.310000000000002 111.038 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.64 14.65 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 71.219999999999999 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 108' ' ' LEU . . . -95.31 -76.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 71.340000000000003 109.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.3 136.9 2.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 71.319999999999993 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 18.7 tp60 -37.56 -58.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 64.549999999999997 110.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -37.87 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' GLY . 7.0 tptt -47.49 -31.45 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 75.239999999999995 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -74.1 -63.34 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 72.349999999999994 109.319 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 78.3 mt -41.55 -50.31 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.51 -53.32 59.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 72.420000000000002 111.015 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 19.1 mt -67.51 -10.91 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -86.63 -31.53 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 74.310000000000002 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 83.4 m-70 -103.2 -0.87 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 71.439999999999998 109.616 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -20.08 20.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 26' ' ' LEU . 3.3 mt -105.9 13.35 29.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 74.400000000000006 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 16.3 mmtt -67.54 -24.14 65.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 72.099999999999994 109.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -114.02 91.56 23.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 110.423 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.23 40.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 72.129999999999995 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.74 168.43 9.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 72.109999999999999 110.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.52 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 72.310000000000002 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.14 7.55 32.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 65.510000000000005 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 14.2 p -67.71 126.36 29.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 61.5 108.322 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.13 0.23 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.230000000000004 110.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -112.09 -28.37 3.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 72.040000000000006 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.539 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -77.48 -63.66 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 72.5 110.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 6.9 t0 -50.73 -42.44 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.281 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 HD23 ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.19 -56.82 17.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 75.510000000000005 109.267 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.549 ' CD2' ' CG2' ' A' ' 47' ' ' VAL . 1.8 tt -55.46 -30.46 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.510000000000005 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.47 -31.47 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 71.200000000000003 109.612 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -86.53 -22.57 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 71.010000000000005 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 65.7 mtp -84.73 -9.9 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 73.140000000000001 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.549 ' CG2' ' CD2' ' A' ' 43' ' ' LEU . 91.5 t -95.46 -55.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.400000000000006 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' VAL . 1.4 mm? -39.96 -50.48 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.400000000000006 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 77' ' ' TRP . 4.4 mp -49.51 -53.23 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 72.439999999999998 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 6.9 mmmt -40.4 -31.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mt -88.6 -44.24 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 54.409999999999997 109.261 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 115.42 16.02 7.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 71.109999999999999 110.999 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.09 70.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 75.530000000000001 110.367 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.02 -19.06 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 110.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.45 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 63.539999999999999 110.388 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -45.26 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 72.099999999999994 110.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.17 -40.21 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 73.239999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.57 -48.97 78.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 63.439999999999998 110.24 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -54.25 -60.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -39.22 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.099999999999994 110.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 11.2 mt -62.13 -38.18 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 75.109999999999999 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.03 -13.19 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 110.279 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 8.17 19.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 70' ' ' ALA . 3.9 mt -127.12 53.76 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 75.129999999999995 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -31.14 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 72.150000000000006 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -60.67 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 72.219999999999999 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.95 113.08 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.219999999999999 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -81.9 -0.55 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 2.6 t -95.39 -14.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.549999999999997 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -76.34 -22.0 55.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 73.030000000000001 109.267 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.489 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -88.08 -34.5 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 110.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -80.38 -39.3 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 109.303 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.511 HG12 ' CE3' ' A' ' 77' ' ' TRP . 45.9 t -65.81 -10.98 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 75.329999999999998 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -80.98 -62.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -72.29 -7.43 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.349999999999994 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.8 tp-100 -88.58 -40.63 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 71.239999999999995 110.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.776 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.0 m-90 -114.81 -59.09 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 108.048 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -47.58 -37.1 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.88 29.13 55.32 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 72.450000000000003 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.475 HG23 ' CB ' ' A' ' 75' ' ' ARG . 23.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 75.120000000000005 109.304 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.26 -0.274 . . . . 74.340000000000003 110.26 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 173.92 13.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 74.530000000000001 110.995 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.81 21.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 71.230000000000004 111.05 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -110.28 27.07 9.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -44.78 -74.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 72.129999999999995 109.297 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' HG21 ' A' ' 92' ' ' VAL . 3.5 m -72.96 -46.88 49.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 110.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.7 t90 -41.22 -66.2 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.349999999999994 107.968 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 91' ' ' ASP . . . -41.29 -55.13 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.120000000000005 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 8' ' ' LEU . 29.8 t -47.97 -41.69 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 72.450000000000003 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -61.53 -47.06 87.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 70.120000000000005 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 91' ' ' ASP . 24.1 mtt180 -68.06 -24.16 65.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.310000000000002 110.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' CE ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -74.49 -50.05 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.420000000000002 109.325 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.8 m-85 -67.95 -22.03 65.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 75.200000000000003 110.987 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.74 -23.05 62.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.6 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt -97.15 -31.07 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.019999999999996 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 43' ' ' LEU . 87.2 mt -64.42 -14.97 59.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.6 -12.33 57.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 71.109999999999999 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.68 -20.35 16.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 110.319 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.56 -18.75 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.319999999999993 110.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 79.19 26.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 75.420000000000002 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 34.9 mt -96.13 -37.66 10.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.2 m -139.16 140.45 26.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 73.209999999999994 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.75 42.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 70.129999999999995 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.73 -10.66 54.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 73.420000000000002 109.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.2 m -55.15 -29.88 58.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.140000000000001 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 6' ' ' PRO . 6.7 mp -86.11 -45.2 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -40.04 -29.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.254 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.548 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 14.5 m-20 -79.71 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 t -40.15 -44.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 71.310000000000002 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -61.46 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.109999999999999 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 140' ' ' ALA . 1.7 m-85 -45.51 -41.25 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 75.530000000000001 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 122' ' ' VAL . 76.5 mt-30 -55.95 -63.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 74.109999999999999 110.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.42 -28.32 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 110.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.24 -28.15 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.496 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 19.3 t -76.93 -8.55 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 74.530000000000001 109.273 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 126' ' ' SER . 37.1 mmt180 -89.8 -71.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 110.237 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.471 HG22 ' CD2' ' A' ' 125' ' ' LEU . 11.7 t -35.74 -39.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.430000000000007 110.405 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 124' ' ' THR . 0.6 OUTLIER -66.73 -56.2 11.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 72.150000000000006 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ARG . 11.2 t -52.89 -47.95 67.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.012 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.8 t -52.37 -57.22 10.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.497 ' CZ ' ' OD2' ' A' ' 130' ' ' ASP . 12.6 ptt180 -79.91 3.68 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 73.420000000000002 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 54.1 t0 38.42 46.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.219999999999999 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.497 ' OD2' ' CZ ' ' A' ' 128' ' ' ARG . 1.6 t0 -58.29 175.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -92.74 -5.98 50.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.230000000000004 109.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -103.61 2.49 33.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.409999999999997 110.305 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 125' ' ' LEU . 2.0 tm? -58.0 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.519999999999996 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -50.89 -28.9 18.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 63.25 111.056 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.55 -34.28 73.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 74.040000000000006 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.596 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 59.3 tp -72.86 -38.75 66.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.496 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 50.0 mm-40 -61.39 -17.8 55.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 54.039999999999999 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -106.46 -2.68 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 62.100000000000001 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 4.8 tt0 -98.62 -45.81 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.572 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.42 -14.87 63.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.019999999999996 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 145' ' ' GLY . 24.0 mtm180 -95.83 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -50.59 -22.4 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.5 mmp_? -85.81 -79.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.230000000000004 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.2 -55.74 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.329999999999998 108.309 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.52 68.28 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 111.045 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.583 ' CH2' ' CG1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -171.95 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.104 . . . . 74.230000000000004 108.018 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.44 61.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 75.120000000000005 109.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.583 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.5 tt -72.51 -34.85 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.140000000000001 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -47.28 -26.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 71.120000000000005 111.0 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.84 . . . . 64.439999999999998 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.457 ' CG ' HD11 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 73.019999999999996 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 177.54 147.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.310000000000002 109.975 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 52.2 tp -55.45 -45.17 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.010000000000005 109.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -22.28 15.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 73.430000000000007 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -63.04 -40.79 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 75.200000000000003 109.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.31 -26.77 66.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 71.219999999999999 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.58 -38.14 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.540000000000006 111.033 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.51 -36.99 71.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 62.539999999999999 109.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.419 ' CD1' ' SG ' ' A' ' 109' ' ' CYS . 22.1 mt -68.55 -25.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 72.409999999999997 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -62.84 -56.77 14.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 71.340000000000003 109.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.69 44.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 73.409999999999997 111.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.12 15.6 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 73.540000000000006 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -98.17 -73.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 70.349999999999994 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 174.49 136.7 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 64.310000000000002 110.976 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -40.62 -52.36 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 74.310000000000002 110.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.03 -31.89 66.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 109.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.3 tptm -53.58 -27.98 29.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 74.430000000000007 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -78.91 -59.39 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.420000000000002 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 51' ' ' LEU . 2.6 mm? -47.06 -57.84 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -47.99 -71.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 75.340000000000003 110.98 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 90.6 mt -38.58 -50.17 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.25 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HZ3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -52.55 -53.06 51.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.285 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 98.3 m-70 -59.55 -16.01 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.239999999999995 109.59 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -85.62 -49.68 7.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.46 -13.59 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 72.519999999999996 109.291 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 30.6 mmtt -39.28 -41.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 65.230000000000004 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -101.22 108.76 56.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.25 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.57 18.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.551 1.816 . . . . 54.399999999999999 111.02 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -86.95 164.1 37.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 70.25 110.274 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 73.099999999999994 110.974 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 22.11 18.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 75.439999999999998 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -79.74 118.75 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.305 -0.998 . . . . 70.549999999999997 108.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -5.45 9.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 75.5 110.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.77 -34.32 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 52.520000000000003 110.998 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.0 tt0 -69.11 -61.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 75.329999999999998 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' OD2' ' CB ' ' A' ' 60' ' ' SER . 15.8 t0 -56.11 -42.52 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.325 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 95' ' ' ALA . 2.1 tt -58.54 -55.06 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.29 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 15' ' ' LEU . 5.4 tp -58.08 -27.0 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -57.46 -40.5 78.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.631 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -76.52 -33.82 58.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 72.219999999999999 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.574 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 61.7 mtp -75.39 -13.99 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 75.230000000000004 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 15' ' ' LEU . 70.4 t -95.31 -49.8 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -40.35 -51.86 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.275 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLY . 8.3 mp -50.33 -53.5 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.530000000000001 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -41.67 -29.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.209999999999994 109.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 24' ' ' LEU . 3.5 mt -88.94 -44.2 10.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 74.049999999999997 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.41 14.02 7.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 74.349999999999994 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.86 82.11 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 72.439999999999998 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.8 pt-20 -75.08 -17.41 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.35 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 110.383 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.27 -41.58 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 110.263 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -48.37 -36.29 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.25 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.39 -47.9 77.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -58.22 -50.02 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 73.200000000000003 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.17 -52.7 64.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.5 109.996 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 8.1 mt -58.64 -29.68 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.140000000000001 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -85.87 -14.46 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 74.120000000000005 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.57 14.3 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 70.299999999999997 109.302 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 mt -130.49 54.07 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 73.430000000000007 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 3.7 mppt? -54.15 -37.57 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 75.109999999999999 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.85 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 51.119999999999997 109.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -71.32 124.54 24.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 73.549999999999997 109.317 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.75 -14.14 40.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 47.0 t -76.05 -25.97 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 72.219999999999999 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.505 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -71.45 -45.75 61.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 64.230000000000004 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 4.4 mtm-85 -65.9 -27.75 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -85.5 -34.22 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.369 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.587 HG11 ' CE3' ' A' ' 77' ' ' TRP . 7.8 t -67.76 -10.64 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -77.72 -60.45 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 72' ' ' LEU . 6.8 ptt85 -74.19 -8.09 54.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 64.129999999999995 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -88.51 -40.57 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.329999999999998 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.8 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.7 m-90 -116.81 -58.88 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 75.209999999999994 107.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.1 -21.02 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 63.530000000000001 109.268 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 59.21 31.66 69.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 75' ' ' ARG . 27.5 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.439999999999998 109.314 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.301 -0.259 . . . . 72.519999999999996 110.301 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -75.01 170.34 20.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 74.230000000000004 111.031 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.64 20.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.478 1.778 . . . . 72.019999999999996 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.534 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 13.5 m-20 -116.8 27.15 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 74.200000000000003 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -39.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.306 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -101.92 -37.86 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 73.519999999999996 110.004 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.0 t90 -49.72 -58.2 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.129999999999995 107.988 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . . . -47.67 -25.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 74.439999999999998 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 8' ' ' LEU . 2.7 t -84.35 -38.76 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -66.22 -30.65 71.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 73.299999999999997 109.344 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 9.2 mtt180 -85.06 -26.46 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.040000000000006 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.497 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 5.2 tt -74.4 -47.6 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 75.040000000000006 109.275 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -69.17 -18.16 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 111.009 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.557 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.4 t60 -66.95 -24.68 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.589 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -94.53 -32.42 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.38 -22.67 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 73.510000000000005 109.313 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.408 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -74.88 -10.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 75.329999999999998 109.249 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -99.69 -20.16 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.340000000000003 110.288 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.48 -11.79 47.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 70.109999999999999 110.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt 69.56 27.46 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.219999999999999 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 91.6 mt -91.36 -39.24 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 75.030000000000001 109.346 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 14' ' ' ILE . 1.2 m -138.97 153.35 71.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 74.25 108.29 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.31 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 70.219999999999999 110.995 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.59 59.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.040000000000006 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 p -56.18 -26.75 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 110.04 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 6' ' ' PRO . 4.4 mm? -82.84 -50.72 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.531 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 10.7 ttm180 -50.36 -23.62 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 110.263 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.7 OUTLIER -81.26 -69.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.451 ' N ' ' OD2' ' A' ' 115' ' ' ASP . 75.7 t -42.2 -37.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.239999999999995 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.07 -61.31 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.340000000000003 109.261 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 140' ' ' ALA . 1.9 m-85 -44.11 -36.93 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 111.02 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' VAL . 84.7 mt-30 -60.04 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 62.420000000000002 110.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -47.85 -23.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 110.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.08 -34.95 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.475 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 13.9 t -72.15 -10.12 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' SER . 14.3 mmt180 -89.19 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.278 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 125' ' ' LEU . 7.5 t -40.55 -39.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 72.329999999999998 110.395 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 124' ' ' THR . 0.8 OUTLIER -65.48 -47.11 77.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.030000000000001 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 123' ' ' ARG . 36.3 t -64.34 -60.37 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.4 t -39.14 -58.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -74.33 -23.29 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 71.040000000000006 110.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.4 t70 64.54 52.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -59.53 174.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 73.319999999999993 109.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -88.27 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.510000000000005 109.633 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.504 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -113.99 -2.1 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.296 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 126' ' ' SER . 2.0 tm? -47.0 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 72.430000000000007 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -52.88 -33.32 43.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 65.299999999999997 110.985 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.34 -29.96 70.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 74.129999999999995 110.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.596 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 46.8 tp -77.56 -37.28 51.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 73.25 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.475 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 59.5 mm-40 -62.36 -18.66 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 75.420000000000002 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -106.56 -2.44 21.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 74.030000000000001 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 3.3 tt0 -98.12 -45.28 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 110.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.568 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.28 -13.04 61.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 145' ' ' GLY . 24.6 mtm180 -98.3 -58.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 74.420000000000002 110.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -50.66 -22.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.5 mmp_? -85.39 -78.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.010000000000005 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.73 -55.59 22.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 108.294 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.73 66.98 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 111.045 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.6 ' CZ3' ' OD1' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -147.78 -171.46 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 74.319999999999993 108.021 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -112.26 61.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.591 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.3 tt -72.78 -25.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.049999999999997 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 141' ' ' ARG . . . -58.49 -18.06 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 71.200000000000003 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 110.967 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 71.409999999999997 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.5 Cg_endo -74.93 -169.9 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 72.109999999999999 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -171.15 174.13 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -66.69 -52.31 34.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.299999999999997 109.281 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -27.37 10.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 73.310000000000002 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -50.42 -46.79 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 74.019999999999996 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.08 -34.53 77.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.099999999999994 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -68.76 -38.06 79.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 62.439999999999998 111.005 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -51.49 51.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.27 -14.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.099999999999994 109.309 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.428 HD21 ' CG ' ' A' ' 50' ' ' LYS . 2.3 tp -80.62 -40.4 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 72.239999999999995 109.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.454 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -80.82 -1.31 89.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 73.150000000000006 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.33 18.76 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 54.020000000000003 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.452 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -89.84 -75.24 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 63.240000000000002 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 179.02 136.28 2.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 62.299999999999997 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.1 tp60 -38.11 -55.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 74.340000000000003 110.249 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -69.07 -35.65 76.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 70.120000000000005 109.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 9.4 tptt -47.22 -31.37 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.230000000000004 109.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.2 -59.15 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 109.331 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 96.7 mt -46.54 -58.2 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.540000000000006 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.4 t80 -45.73 -71.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 110.98 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 28.4 mt -39.69 -56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LEU . 1.3 ttmt -45.07 -63.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 74.129999999999995 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 97.6 m-70 -51.03 -22.7 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 63.009999999999998 109.612 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 2.5 tttp -85.27 -31.0 23.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 72.140000000000001 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.5 mt -80.95 -20.09 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.348 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.6 mmtt -38.4 -36.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.31 108.31 40.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 64.319999999999993 110.363 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.1 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.47 1.774 . . . . 71.010000000000005 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.85 159.96 56.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 75.409999999999997 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.08 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 65.150000000000006 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.18 28.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 110.986 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.07 124.68 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 73.299999999999997 108.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -1.16 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 75.450000000000003 110.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.8 -28.78 5.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 75.549999999999997 111.052 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.476 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.3 tt0 -76.59 -60.7 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 74.519999999999996 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 11.7 t0 -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 73.299999999999997 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 73' ' ' VAL . 24.6 tp -66.04 -47.5 74.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 75.310000000000002 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 99' ' ' LEU . 27.1 tp -61.57 -29.92 70.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 75.150000000000006 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 8.0 t-160 -62.05 -27.52 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 109.553 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -84.49 -17.44 39.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 64.549999999999997 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.561 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 35.7 mtp -98.66 -20.33 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 71.530000000000001 111.029 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 27' ' ' LYS . 40.2 t -76.76 -48.42 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.310000000000002 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.13 -50.41 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 72.349999999999994 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.1 mt -47.06 -53.17 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 74.030000000000001 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 3.0 mmmt -40.38 -35.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 75.319999999999993 109.277 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.415 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 1.9 mt -83.49 -44.7 14.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 74.140000000000001 109.334 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.84 13.32 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 74.400000000000006 110.984 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.45 80.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 70.120000000000005 110.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -74.65 -17.51 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 110.347 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -38.23 -34.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 62.130000000000003 110.416 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.7 mp0 -89.21 -45.48 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 61.020000000000003 110.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.34 -39.2 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -61.08 -47.03 88.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.200000000000003 110.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -60.32 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 109.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -45.47 -50.16 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.25 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 45' ' ' ALA . 7.3 mt -53.65 -49.77 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.21 -13.97 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 110.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.6 5.0 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.430000000000007 109.322 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 10.9 mt -118.7 47.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 75.349999999999994 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -49.88 -24.98 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 71.5 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.82 34.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.281 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.6 t0 -158.6 129.41 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.68 -31.16 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 55.130000000000003 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 10.7 t -55.16 -22.24 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.345 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -75.87 -45.18 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.275 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -12.68 60.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 110.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -97.38 -25.72 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.030000000000001 109.284 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.571 HG12 ' CE3' ' A' ' 77' ' ' TRP . 7.0 t -87.7 -6.46 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.329999999999998 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -85.18 -35.42 21.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 7.3 ptt-85 -98.3 -6.15 31.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.420000000000002 110.29 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 4.1 tp-100 -91.3 -44.14 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.79 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 23.8 m-90 -107.25 -58.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 74.430000000000007 107.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -56.65 -43.17 80.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 65.430000000000007 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.2 42.27 29.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 74.439999999999998 110.99 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 79' ' ' GLY . 25.9 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 73.209999999999994 109.257 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.271 -0.27 . . . . 70.450000000000003 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.92 173.38 14.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 72.329999999999998 111.009 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.86 18.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 71.450000000000003 110.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.469 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -108.64 27.16 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 64.129999999999995 109.244 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -39.99 -69.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 73.439999999999998 109.321 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 92' ' ' VAL . 58.0 m -80.91 -43.92 19.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.049 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CD2' ' CD1' ' A' ' 136' ' ' LEU . 3.2 t90 -41.74 -66.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 108.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' LEU . . . -41.43 -53.5 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 75.439999999999998 109.293 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 29.6 t -50.24 -43.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.84 -28.91 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.576 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 34.6 mtt180 -82.14 -21.33 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' ALA . 1.8 tp -80.26 -41.75 24.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 70.030000000000001 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 113' ' ' LEU . 4.3 m-85 -70.25 -29.04 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 71.420000000000002 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -56.47 -19.3 14.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 55.420000000000002 109.549 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.2 mt -95.66 -25.17 16.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 73.310000000000002 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 108' ' ' LEU . 75.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.267 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.94 -4.88 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.16 -19.73 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.310000000000002 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -107.63 -7.96 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 63.32 110.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 71.96 46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.308 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 103' ' ' LEU . 9.8 mt -99.33 -27.64 13.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 73.510000000000005 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 27.2 p -154.51 151.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 75.219999999999999 108.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.423 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.3 Cg_endo -74.97 144.66 30.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 71.200000000000003 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.7 -26.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 109.275 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 110' ' ' PRO . 15.4 m -45.83 -45.86 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 75.420000000000002 110.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -63.61 -48.01 79.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.264 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.3 ttp180 -50.38 -26.45 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.349999999999994 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 15.7 m-20 -86.05 -68.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 75.510000000000005 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' ASP . 72.6 t -39.34 -34.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.349999999999994 109.242 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.66 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.030000000000001 109.245 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.77 -40.67 66.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 73.140000000000001 111.034 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 122' ' ' VAL . 83.1 mt-30 -52.2 -64.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 74.549999999999997 110.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -44.97 -27.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.47 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 65.530000000000001 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.504 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 48.8 t -53.63 -20.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 72.129999999999995 109.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.4 mmt180 -89.4 -66.12 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.39 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 110.43 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 94' ' ' TRP . 4.8 mp -87.69 -63.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 74.549999999999997 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 125' ' ' LEU . 10.0 t -38.16 -48.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 72.319999999999993 110.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -53.23 -58.75 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 72.310000000000002 110.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -79.76 4.87 15.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 75.439999999999998 110.264 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.6 m-20 42.36 36.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 109.241 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.451 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 15.4 t0 -41.79 154.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -74.32 -4.39 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.592 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.91 -0.07 18.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.450000000000003 110.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -51.6 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.200000000000003 109.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -50.93 -31.49 24.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 73.400000000000006 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.61 -31.97 73.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 73.439999999999998 110.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.584 ' CD1' ' CD2' ' A' ' 94' ' ' TRP . 7.4 tt -74.72 -47.27 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.504 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 33.8 mm-40 -52.01 -23.98 5.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -99.36 -22.65 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 75.329999999999998 109.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 1.5 tt0 -75.27 -61.64 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 75.439999999999998 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.557 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -52.21 -20.25 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.200000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 145' ' ' GLY . 7.8 mtm105 -86.97 -64.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 73.540000000000006 110.273 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -46.26 -26.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.6 mmp_? -81.22 -78.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 72.319999999999993 110.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -64.86 -56.72 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 65.219999999999999 108.34 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.52 63.68 0.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 61.240000000000002 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.592 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.33 -167.39 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 72.140000000000001 107.972 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -115.47 60.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.592 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.6 tt -69.11 -35.46 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -56.01 -20.29 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 109.294 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 110.98 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.041 -0.824 . . . . 75.420000000000002 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.04 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 63.229999999999997 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -171.79 167.97 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 63.509999999999998 109.986 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.517 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -62.36 -51.67 71.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 75.400000000000006 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.96 -25.26 12.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 64.140000000000001 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.0 t -51.55 -45.74 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 75.230000000000004 110.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -65.55 -26.97 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -73.68 -36.23 65.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.040000000000006 111.028 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.64 -37.45 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 74.230000000000004 109.246 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.483 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 17.7 mt -70.41 -19.52 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 109.303 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -69.24 -54.37 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 109.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.44 -7.32 60.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 70.420000000000002 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 13.54 34.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 63.009999999999998 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -95.93 -65.04 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 75.25 109.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 161.78 134.1 1.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 74.030000000000001 110.965 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 27.2 tp60 -37.55 -56.07 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 74.040000000000006 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -63.34 -40.7 98.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 72.049999999999997 109.315 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.9 tptt -46.99 -31.95 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 75.010000000000005 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.47 -59.98 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 109.306 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 84.8 mt -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 74.450000000000003 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.6 t80 -54.65 -72.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 72.430000000000007 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.5 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 81.0 mt -39.12 -60.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.030000000000001 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -43.05 -61.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 86.6 m-70 -52.19 -30.43 27.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.654 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LEU . 8.8 tttt -79.3 -26.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 74.5 109.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.1 mt -81.71 -24.32 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 65.329999999999998 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 19.5 mmtt -39.35 -31.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.400000000000006 109.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -117.25 98.95 52.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 74.040000000000006 110.386 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 150.95 39.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 73.209999999999994 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -91.75 159.12 39.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 110.292 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.31 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.484 1.781 . . . . 74.129999999999995 111.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.05 5.04 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 62.32 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.38 123.27 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.356 -0.979 . . . . 64.329999999999998 108.356 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -2.92 8.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.17 -32.63 4.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.534 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -74.53 -67.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.753 . . . . 73.239999999999995 110.33 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 8.1 t0 -40.22 -41.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 63.439999999999998 109.294 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.94 70.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.030000000000001 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 15' ' ' LEU . 5.3 tp -58.89 -29.35 66.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 75.439999999999998 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 8.3 t-160 -58.62 -41.62 86.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.109999999999999 109.586 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -76.85 -21.61 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 71.109999999999999 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.5 mtp -90.71 -8.17 50.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.340000000000003 110.962 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 27' ' ' LYS . 51.1 t -94.91 -51.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.210000000000001 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -41.93 -50.12 4.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.510000000000005 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' GLY . 5.2 mp -50.28 -52.61 34.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' A' ' 12' ' ' PHE . 3.4 mmmt -40.51 -30.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.305 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.422 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -91.08 -43.31 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.03 14.73 7.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 72.540000000000006 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -120.39 72.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 73.219999999999999 110.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.61 -17.97 63.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.010000000000005 110.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -39.0 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 110.378 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.76 -44.13 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 70.409999999999997 110.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.6 -37.84 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -61.99 -38.94 90.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 72.400000000000006 110.35 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -67.63 -62.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 73.019999999999996 109.259 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -43.61 -45.6 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 72.219999999999999 110.0 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 12.3 mt -56.08 -47.53 77.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -66.62 -13.68 61.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.1 12.95 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.019999999999996 109.338 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 20.2 mt -124.45 54.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.209999999999994 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' C ' ' NH2' ' A' ' 71' ' ' ARG . 9.4 mmmm -59.64 -15.87 22.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.97 -44.02 11.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 73.519999999999996 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -78.02 130.17 36.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.318 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.35 -17.23 26.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 109.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 3.2 t -77.75 -19.53 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.150000000000006 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.474 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -69.98 -7.91 44.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.030000000000001 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' LEU . 5.3 mmt85 -101.24 -37.19 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -80.58 -11.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.64 -6.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 74.239999999999995 109.275 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -87.94 -35.64 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 70.219999999999999 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 8.7 ptt-85 -98.28 -5.99 31.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 110.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -91.67 -44.74 8.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 73.030000000000001 110.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.796 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 22.0 m-90 -106.73 -58.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.97 -1.122 . . . . 74.109999999999999 107.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -57.45 -24.88 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 71.150000000000006 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 55.23 41.36 78.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 75.140000000000001 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 71.230000000000004 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 10.1 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.338 -0.245 . . . . 73.409999999999997 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 75.519999999999996 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 75.219999999999999 110.999 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 67.1 m-20 -119.24 26.55 9.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -46.87 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 64.450000000000003 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' TRP . 4.1 m -66.13 -50.28 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.031 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 2.4 t90 -39.89 -67.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 108.038 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 91' ' ' ASP . . . -39.21 -53.67 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 109.297 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.408 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.1 t -51.67 -46.54 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -60.53 -62.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 27.1 mtt180 -48.46 -25.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 73.319999999999993 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 43' ' ' LEU . 2.3 tp -81.13 -40.71 23.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 3.7 m-85 -76.53 -10.63 59.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 64.310000000000002 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.0 t60 -77.82 -18.93 55.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 65.310000000000002 109.625 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -97.26 -28.43 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD2' ' OE1' ' A' ' 106' ' ' GLU . 43.2 mt -65.87 -29.04 69.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.099999999999994 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.95 -3.27 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 109.327 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -99.74 -20.24 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.530000000000001 110.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.5 ' OE2' ' CD2' ' A' ' 26' ' ' LEU . 3.0 pt-20 -105.38 -9.47 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.120000000000005 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 77.44 38.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 106' ' ' GLU . 10.2 mt -95.64 -39.58 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 72.329999999999998 109.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.6 m -140.14 148.67 55.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 74.019999999999996 108.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.52 43.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 73.5 110.991 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.03 -12.94 43.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 109.321 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -16.4 61.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 63.219999999999999 109.967 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 3.7 mm? -96.47 -40.35 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 72.150000000000006 109.349 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.4 ttm180 -57.54 -25.77 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.503 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -81.68 -66.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.519999999999996 109.293 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -45.59 -35.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 62.340000000000003 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.28 48.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 72.120000000000005 109.315 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 2.0 m-85 -53.27 -43.64 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.57 -52.27 60.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 72.310000000000002 110.336 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.21 -13.93 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 71.040000000000006 110.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -91.7 -30.13 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 64.420000000000002 109.351 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 123' ' ' ARG . 1.0 OUTLIER -81.54 -27.18 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 63.409999999999997 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -76.12 -32.82 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -40.37 65.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.530000000000001 110.41 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.55 HD11 ' CE3' ' A' ' 94' ' ' TRP . 84.8 mt -76.79 -43.82 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.219999999999999 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.2 m -65.11 -35.79 82.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 70.209999999999994 109.975 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 10.6 t -66.71 -36.56 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.009 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -100.66 6.44 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.019999999999996 110.332 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.4 m-20 42.1 49.22 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 70.319999999999993 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.499 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 27.3 t0 -62.33 176.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -92.93 -15.34 26.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 64.219999999999999 109.596 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.1 OUTLIER -101.41 16.5 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.099999999999994 110.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -70.73 -63.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 73.030000000000001 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.439 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -53.9 -30.16 44.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 63.100000000000001 110.973 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.73 -29.57 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 73.219999999999999 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 40.8 tp -74.7 -42.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 39.0 mm-40 -62.74 -13.96 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 73.450000000000003 110.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -106.77 -4.97 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 75.25 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.36 -47.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 73.450000000000003 110.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -66.91 -16.43 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.200000000000003 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 36.7 mtm180 -91.63 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -51.4 -21.79 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.430000000000007 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.0 mmp_? -85.92 -77.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.42 -55.99 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 74.010000000000005 108.28 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.81 65.34 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 74.450000000000003 111.014 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.591 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.36 -170.77 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.98 -1.118 . . . . 75.230000000000004 107.98 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -114.7 62.69 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.591 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 9.9 tt -65.59 -37.06 79.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -46.59 -25.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 54.32 110.987 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.974 -0.851 . . . . 75.049999999999997 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 75.310000000000002 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.421 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 1.8 t 179.99 178.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.400000000000006 109.966 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -68.55 -52.01 20.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 63.109999999999999 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.05 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 74.019999999999996 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.455 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 58.3 m -44.62 -44.99 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.32 -37.66 86.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 109.287 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.24 -35.86 78.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.230000000000004 111.004 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.21 -53.29 46.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 75.200000000000003 109.314 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mt -56.66 -24.32 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 74.340000000000003 109.269 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.41 -56.61 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 63.009999999999998 109.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.77 -6.73 52.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 74.540000000000006 110.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.54 -16.51 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.230000000000004 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.428 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -68.43 -65.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 159.19 139.06 2.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.200000000000003 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -42.18 -58.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 72.219999999999999 110.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -62.54 -25.31 67.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 64.340000000000003 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -67.13 -17.32 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 109.307 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -93.6 -44.38 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.239999999999995 109.273 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.1 mt -61.53 -48.36 81.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.25 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.95 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.56 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 87.1 mt -49.05 -38.65 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.645 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.28 -52.15 62.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 75.120000000000005 109.266 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.645 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.6 m-70 -65.08 -12.13 47.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 109.614 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -86.12 -49.82 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 73.400000000000006 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 1.8 mt -59.97 -16.52 31.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 75.400000000000006 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 9.7 mmtt -39.49 -39.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' THR . 0.5 OUTLIER -110.93 119.14 46.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 74.439999999999998 110.375 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.06 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 75.530000000000001 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.05 164.79 37.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 111.029 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.63 22.57 13.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 70.109999999999999 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.25 116.01 22.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.316 -0.994 . . . . 74.420000000000002 108.316 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -119.85 -8.78 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.299999999999997 110.263 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.64 -38.0 2.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 72.140000000000001 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.454 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -63.22 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.420000000000002 110.279 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 7.3 t0 -45.87 -41.21 10.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 19.1 tp -60.99 -54.35 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 74.340000000000003 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD1' ' HE1' ' A' ' 46' ' ' MET . 12.6 tp -56.26 -32.29 64.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.349999999999994 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 8.8 t-160 -56.38 -27.85 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.150000000000006 109.587 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . . . -86.76 -20.92 26.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.374 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 42.4 mtp -93.37 -7.3 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.71 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 75.209999999999994 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.38 -40.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 72.340000000000003 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.2 mt -55.15 -58.64 6.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 21.6 mmtt -42.99 -28.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 75.420000000000002 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.438 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.7 mt -83.68 -45.63 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 71.019999999999996 109.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.52 18.8 6.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 74.140000000000001 111.019 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.25 81.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 71.319999999999993 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -71.64 -20.04 62.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.84 -35.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 71.099999999999994 110.361 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -86.67 -48.36 8.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 74.120000000000005 110.273 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.48 -39.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -62.7 -49.92 73.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 75.239999999999995 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.73 -48.03 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 65.310000000000002 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -44.67 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 71.450000000000003 110.017 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 9.5 mt -62.7 -35.82 80.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 75.349999999999994 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.47 -14.61 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 62.119999999999997 110.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.04 7.72 20.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.248 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -134.31 54.56 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 74.439999999999998 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.2 mmpt? -59.65 -20.26 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 73.450000000000003 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.4 -52.11 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 65.030000000000001 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 111.45 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 72.200000000000003 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -74.98 -2.05 25.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 t -88.52 -23.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -75.23 -46.87 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 61.25 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -62.25 -31.63 72.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 110.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.546 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -83.75 -39.08 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 4.4 t -65.34 -11.42 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 71.340000000000003 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -77.69 -68.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.030000000000001 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.546 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 3.7 ptt-85 -67.27 -7.11 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 110.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -89.6 -45.07 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.200000000000003 110.326 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.799 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.9 m-90 -113.39 -59.63 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 108.042 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -46.1 -26.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 75.450000000000003 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 78.33 16.61 79.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 73.409999999999997 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.438 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 109.296 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.325 -0.25 . . . . 74.099999999999994 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 73.310000000000002 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 75.109999999999999 111.017 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 1.2 m-20 -99.19 24.55 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.309 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.49 -45.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 64.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -106.3 -41.39 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 136' ' ' LEU . 4.8 t90 -42.88 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 75.200000000000003 108.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.75 -50.67 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.288 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.9 t -51.86 -32.69 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -74.06 -37.41 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 61.200000000000003 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 10.5 mtt180 -77.78 -16.75 58.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 73.349999999999994 110.335 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -86.09 -52.74 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 109.32 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 113' ' ' LEU . 5.2 m-85 -61.16 -21.09 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.1 t60 -67.52 -17.6 64.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 109.59 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -97.21 -31.18 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.54 -30.74 71.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 73.409999999999997 109.328 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.18 -3.41 29.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.31 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 1.8 mm-40 -99.45 -19.34 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 74.129999999999995 110.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.494 ' OE2' ' CD2' ' A' ' 26' ' ' LEU . 1.2 pt-20 -109.54 12.59 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp 54.89 49.27 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 109.348 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.489 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 20.3 mt -112.04 -32.75 6.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.430000000000007 109.339 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.56 140.13 16.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 74.530000000000001 108.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.15 40.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 71.420000000000002 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.09 15.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.219999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 19.9 m -55.7 -20.42 14.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 71.219999999999999 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 2.3 mm? -94.84 -30.36 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.1 ttp180 -70.01 -27.18 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 73.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 1.1 p30 -80.34 -50.85 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 75.299999999999997 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 51.9 t -66.37 -28.64 44.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' LEU . . . -71.29 -34.07 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 71.109999999999999 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -74.14 -43.61 56.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 63.210000000000001 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.63 -49.19 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 52.219999999999999 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -58.93 -14.43 9.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 94' ' ' TRP . . . -93.85 -50.28 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 73.239999999999995 109.337 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.485 HG12 ' CD2' ' A' ' 136' ' ' LEU . 1.4 m -61.42 -25.51 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 74.349999999999994 109.286 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -72.93 -32.71 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 110.312 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.46 ' CG2' HD22 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -83.43 -40.42 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 73.150000000000006 110.365 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 132' ' ' ARG . 2.1 mm? -68.21 -42.67 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.409 ' N ' HD22 ' A' ' 133' ' ' LEU . 24.1 t -73.5 -39.59 64.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.530000000000001 109.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 6.0 t -57.96 -32.93 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 71.140000000000001 109.968 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.2 OUTLIER -103.43 -8.29 20.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.030000000000001 110.345 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 53.34 51.17 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.409999999999997 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.468 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 25.7 t0 -63.42 -179.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 73.340000000000003 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -94.67 -4.89 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 72.140000000000001 109.637 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -111.31 2.94 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 61.020000000000003 110.347 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.1 tm? -57.12 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.429 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -52.51 -27.13 25.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 110.996 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.25 -31.95 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 75.510000000000005 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 94' ' ' TRP . 5.8 tt -74.69 -42.74 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.019999999999996 109.286 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.478 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 42.2 mm-40 -61.49 -12.08 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 110.331 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.44 -8.97 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -94.94 -50.06 5.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 74.319999999999993 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -63.78 -15.31 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.040000000000006 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 145' ' ' GLY . 49.4 mtm180 -91.23 -62.01 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.53 -22.14 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 75.109999999999999 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.573 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.3 mmp_? -85.36 -78.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.540000000000006 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.91 -55.57 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 71.209999999999994 108.255 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.46 70.17 0.88 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 44.310000000000002 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.59 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.1 OUTLIER -151.95 -170.38 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.989 -1.115 . . . . 61.200000000000003 107.989 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -114.16 59.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.585 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 4.8 tt -68.44 -14.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 74.450000000000003 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -78.88 0.22 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 62.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 64.030000000000001 110.994 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.023 -0.831 . . . . 70.420000000000002 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 74.530000000000001 110.967 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.38 172.77 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.409999999999997 110.012 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -66.26 -55.52 20.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.129999999999995 109.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.53 15.77 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.478 1.778 . . . . 64.409999999999997 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -54.66 -43.77 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 109.983 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.19 -26.79 68.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -69.86 -36.67 75.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 75.420000000000002 110.996 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -42.44 79.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 108' ' ' LEU . 5.2 mt -65.13 -22.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 75.25 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 43' ' ' LEU . 1.7 mt -70.93 -60.57 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 71.510000000000005 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.49 -12.74 53.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 42.020000000000003 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.75 19.72 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 74.109999999999999 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -99.12 -72.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.92 136.52 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 54.520000000000003 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -40.73 -52.08 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 71.109999999999999 110.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.07 -31.78 66.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.510000000000005 109.324 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.4 tptt -53.36 -25.97 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 74.549999999999997 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.488 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -83.84 -59.0 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.25 109.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 51' ' ' LEU . 66.6 mt -47.16 -57.87 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.274 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.96 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.230000000000004 110.977 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.9 mt -39.8 -58.9 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 74.409999999999997 109.344 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 75.120000000000005 109.309 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.43 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 96.1 m-70 -52.55 -22.17 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 75.549999999999997 109.626 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -81.0 -30.79 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 72.400000000000006 109.343 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 5.4 mt -76.29 -21.5 56.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.430000000000007 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 28.6 mmtt -38.59 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.400000000000006 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -105.01 104.95 49.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 70.109999999999999 110.36 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 140.04 25.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 64.340000000000003 110.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.46 168.1 13.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 73.010000000000005 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 27.97 36.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.152 . . . . 74.420000000000002 111.031 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.11 118.22 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.265 -1.013 . . . . 73.030000000000001 108.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -4.5 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -108.5 -32.98 3.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.527 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -74.21 -64.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 74.340000000000003 110.284 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 5.1 t0 -48.2 -41.88 28.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.409999999999997 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 73' ' ' VAL . 31.7 tp -60.75 -52.16 66.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 6.0 tp -58.25 -31.4 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 75.099999999999994 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.9 t-160 -59.69 -22.41 61.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.040000000000006 109.62 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -91.26 -20.55 21.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.3 mtp -93.92 -14.21 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 38.7 t -86.51 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.415 ' HG ' ' CB ' ' A' ' 56' ' ' GLU . 1.3 mm? -40.27 -29.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 75.540000000000006 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.27 -58.54 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 73.450000000000003 109.289 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -37.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 74.219999999999999 109.282 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD2' HD22 ' A' ' 24' ' ' LEU . 4.0 mp -75.55 -50.66 14.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 73.129999999999995 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.69 10.03 8.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 75.230000000000004 110.956 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -117.7 77.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 74.530000000000001 110.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.2 pt-20 -69.94 -18.54 63.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -39.12 -29.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 64.030000000000001 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -93.11 -45.02 8.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 110.293 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.7 -41.44 6.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -60.5 -48.57 81.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 70.439999999999998 110.307 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.83 -48.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 75.540000000000006 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -48.82 79.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 45' ' ' ALA . 5.9 mt -57.73 -39.16 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 109.301 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.71 -14.01 61.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.020000000000003 110.298 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.99 14.66 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 75.099999999999994 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' CB ' ' A' ' 70' ' ' ALA . 4.3 mt -132.34 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 72.450000000000003 109.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -54.34 -24.21 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 61.409999999999997 109.28 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.29 -48.15 12.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 73.150000000000006 109.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.39 119.84 14.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 109.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.53 -15.1 38.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.539999999999999 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 96.1 t -80.31 -20.49 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . . . -74.82 -66.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.420000000000002 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -48.93 -23.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 75.120000000000005 110.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -87.43 -37.04 17.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 65.519999999999996 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.573 HG11 ' CE3' ' A' ' 77' ' ' TRP . 4.1 t -65.35 -11.3 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 71.530000000000001 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -77.52 -68.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 63.25 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.44 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 5.3 ptt-85 -66.81 -7.81 24.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 72.140000000000001 110.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tp60 -87.98 -47.39 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.530000000000001 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 18.8 m-90 -107.74 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.97 -1.122 . . . . 74.420000000000002 107.97 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -43.62 -36.72 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 89.61 15.04 58.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 75.530000000000001 110.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 79' ' ' GLY . 44.8 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 74.219999999999999 109.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.278 -0.267 . . . . 73.219999999999999 110.278 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.03 173.65 14.15 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 74.239999999999995 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 64.040000000000006 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 35.9 m-20 -116.8 22.72 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 75.530000000000001 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -37.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 53.409999999999997 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -105.96 -41.25 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 110.028 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.5 t90 -44.82 -55.92 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 70.200000000000003 108.026 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' CB ' ' CG1' ' A' ' 69' ' ' VAL . . . -50.03 -36.51 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 7.5 t -71.8 -29.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 73.409999999999997 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.566 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -72.64 -41.78 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 72.239999999999995 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 1.3 mtt180 -78.15 -30.1 49.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 110.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 4.2 tp -69.77 -39.73 76.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 6.2 m-85 -77.92 -22.57 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.530000000000001 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -60.82 -25.22 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.6 mt -92.7 -43.12 9.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.417 ' CB ' ' SG ' ' A' ' 109' ' ' CYS . 95.1 mt -62.45 -17.57 59.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 71.329999999999998 109.307 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.26 -18.04 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -99.9 -30.05 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 72.140000000000001 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -67.4 -17.43 64.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 64.329999999999998 110.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt 79.2 41.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 73.519999999999996 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 14' ' ' ILE . 43.6 mt -111.59 -36.94 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 75.439999999999998 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 103' ' ' LEU . 2.1 p -138.12 151.3 69.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 62.340000000000003 108.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.03 42.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 73.140000000000001 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.54 -12.23 42.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 65.310000000000002 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.2 m -63.57 -45.21 91.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.010000000000005 109.962 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.63 -38.11 83.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 72.430000000000007 109.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -57.2 -28.41 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.310000000000002 110.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.597 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -81.96 -64.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 74.109999999999999 109.307 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.2 t -40.23 -40.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.209999999999994 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.88 -58.82 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 75.109999999999999 109.325 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.6 m-85 -47.93 -40.82 23.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.567 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 83.6 mt-30 -57.17 -37.93 72.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 60.399999999999999 110.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.82 -8.31 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 73.120000000000005 110.354 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.4 ' C ' ' CD2' ' A' ' 136' ' ' LEU . . . -99.4 -36.67 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 73.219999999999999 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 119' ' ' GLN . 1.8 p -80.85 -35.63 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 74.200000000000003 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -68.95 -28.6 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 110.331 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 125' ' ' LEU . 1.2 t -85.39 -37.52 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.428 HD22 ' CE3' ' A' ' 94' ' ' TRP . 4.9 mp -79.03 -25.01 43.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.6 m -74.38 -44.28 52.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.119999999999997 109.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 110.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.509 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.9 OUTLIER -94.93 2.15 55.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.030000000000001 110.327 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 41.28 52.94 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 109.328 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.509 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 20.2 t0 -56.28 157.14 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.349999999999994 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -71.44 -9.05 57.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.568 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.51 11.06 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 0.8 OUTLIER -61.85 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 71.319999999999993 109.322 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -53.15 -29.89 37.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.118 . . . . 71.209999999999994 110.976 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.35 -33.24 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 74.150000000000006 110.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.599 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 31.4 tp -75.36 -39.62 59.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 75.200000000000003 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 13.1 mm-40 -63.97 -18.41 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 70.209999999999994 110.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -102.65 -4.69 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 75.239999999999995 109.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.7 tt0 -98.88 -47.09 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 73.299999999999997 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.08 -18.06 65.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 75.349999999999994 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 145' ' ' GLY . 22.4 mtm180 -92.45 -60.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 110.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -50.67 -22.49 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.549999999999997 109.337 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.4 mmp_? -86.93 -78.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 110.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -61.5 -55.98 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 65.549999999999997 108.342 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.26 68.8 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 64.200000000000003 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.597 ' CZ3' ' OD2' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -151.37 -171.17 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 74.230000000000004 108.0 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.14 61.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 65.450000000000003 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.586 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 2.8 tt -70.37 -35.03 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -52.59 -21.93 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 72.5 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 60.109999999999999 111.002 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 63.520000000000003 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.458 ' CD ' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.95 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 74.109999999999999 111.028 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -173.63 171.22 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 109.998 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.554 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -73.39 -49.84 6.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 64.230000000000004 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 75.299999999999997 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -59.46 -40.92 88.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.67 80.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 71.439999999999998 109.276 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.798 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -65.08 -35.85 82.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.995 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.51 -28.19 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 109.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.5 mt -78.04 -17.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 109.301 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 43' ' ' LEU . 2.8 mt -73.37 -55.03 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.69 -6.26 49.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 54.539999999999999 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.91 12.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 74.200000000000003 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -57.92 -71.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.53 139.26 2.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 74.049999999999997 110.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -39.78 -61.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 74.109999999999999 110.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.74 -24.05 66.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 72.310000000000002 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tptm -61.54 -16.19 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.540000000000006 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 19' ' ' GLY . 1.3 mt -92.4 -52.37 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 74.030000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 mm? -55.48 -51.89 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.305 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' HD22 ' A' ' 26' ' ' LEU . 1.4 t80 -53.47 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.150000000000006 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 25' ' ' TYR . 62.1 mt -43.11 -45.22 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.15 -54.96 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.7 m-70 -64.39 -11.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 109.622 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -88.47 -38.26 15.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 75.5 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.7 mt -71.89 -20.52 61.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 39.7 mmtt -38.3 -42.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -99.32 109.27 54.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 72.219999999999999 110.396 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.56 25.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 74.430000000000007 110.992 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -90.48 168.89 13.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 75.439999999999998 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 75.450000000000003 110.97 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.66 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.7 116.57 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.268 -1.012 . . . . 71.150000000000006 108.268 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -6.64 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.519999999999996 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.7 -35.28 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 73.439999999999998 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CG ' HD21 ' A' ' 30' ' ' LEU . 1.8 tt0 -66.08 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 63.210000000000001 110.334 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.2 t70 -48.95 -40.24 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.200000000000003 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.83 -55.19 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.140000000000001 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.596 ' CD1' ' CD2' ' A' ' 99' ' ' LEU . 2.3 mt -58.13 -34.21 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.109999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.9 t-160 -57.32 -20.88 31.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 72.030000000000001 109.556 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -91.24 -20.17 22.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 38.7 mtp -98.6 -14.04 20.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.439999999999998 110.975 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 41.3 t -85.44 -50.69 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -48.5 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 65.420000000000002 109.255 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.3 mt -50.94 -51.48 51.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 74.209999999999994 109.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 1.1 mmmt -41.23 -29.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 74.120000000000005 109.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.462 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -90.55 -43.21 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 64.040000000000006 109.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.04 16.25 6.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 60.020000000000003 111.001 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.3 82.81 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 75.140000000000001 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -76.95 -18.63 58.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -37.99 -34.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 73.150000000000006 110.378 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ILE . 20.1 mp0 -88.73 -46.77 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 110.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.49 -35.77 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.07 -50.07 51.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -55.55 -39.67 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 72.239999999999995 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -66.08 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.430000000000007 110.031 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 45' ' ' ALA . 8.9 mt -53.03 -46.41 68.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 65.430000000000007 109.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' CD ' ' A' ' 65' ' ' LYS . 4.1 tp10 -64.29 -18.23 64.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 110.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.75 -5.37 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 52.310000000000002 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 3.6 mt -119.98 51.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 62' ' ' GLU . 5.9 mmmt -50.11 -24.64 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.269 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.49 -44.15 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 75.239999999999995 109.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 64' ' ' LEU . 11.1 m-20 -72.26 107.4 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.019999999999996 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -72.72 -5.25 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 70.400000000000006 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.442 HG12 ' CB ' ' A' ' 95' ' ' ALA . 1.6 t -78.37 -40.22 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 73.439999999999998 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.444 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -61.53 -57.98 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -50.21 -28.09 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.209999999999994 110.331 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -88.15 -29.65 20.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.325 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 42' ' ' LEU . 3.4 t -79.69 -6.71 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.556 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -82.05 -36.65 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 70.140000000000001 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 5.8 ptt-85 -99.03 -5.37 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.53 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.5 tp-100 -86.82 -48.46 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 64.219999999999999 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.798 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 26.5 m-90 -109.47 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 74.129999999999995 108.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -41.89 -28.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.06 18.47 74.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 74.530000000000001 110.963 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.466 HG23 ' CB ' ' A' ' 74' ' ' ALA . 50.1 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 73.120000000000005 109.27 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 71.519999999999996 110.285 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 171.89 17.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 74.040000000000006 111.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.09 15.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 74.409999999999997 111.009 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD2' ' NH1' ' A' ' 98' ' ' ARG . 94.3 m-20 -104.5 26.76 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.430000000000007 109.24 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.35 -41.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 65.25 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.9 m -104.55 -40.84 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.310000000000002 109.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.586 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.2 t90 -43.16 -54.6 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 74.439999999999998 108.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.442 ' CB ' HG12 ' A' ' 69' ' ' VAL . . . -56.3 -39.99 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 63.210000000000001 109.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.453 HG23 ' CB ' ' A' ' 8' ' ' LEU . 40.8 t -64.01 -23.26 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 75.439999999999998 109.294 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.5 -40.63 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.420000000000002 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.446 ' NH1' ' OD2' ' A' ' 91' ' ' ASP . 13.5 mtt180 -71.18 -23.12 61.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.596 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 6.8 tt -74.4 -52.56 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.439999999999998 109.284 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.49 -28.11 69.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 65.439999999999998 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -53.67 -20.98 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 72.230000000000004 109.579 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.1 mt -97.13 -25.86 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.09 . . . . 75.109999999999999 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.464 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 85.0 mt -70.52 -16.17 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 72.400000000000006 109.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.31 -1.81 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 74.099999999999994 109.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.54 -18.49 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 70.099999999999994 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.495 ' OE1' ' CD1' ' A' ' 26' ' ' LEU . 2.1 pt-20 -107.21 -6.04 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.030000000000001 110.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 74.45 24.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.56 -27.21 37.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 74.510000000000005 109.334 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -157.76 143.17 12.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 108.313 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.03 148.18 34.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 72.349999999999994 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' SER . . . -50.35 -22.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' ALA . 3.5 m -38.76 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 110.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 115' ' ' ASP . 2.0 mm? -70.13 -54.48 12.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 ttp180 -38.52 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.230000000000004 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.4 OUTLIER -78.81 -69.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.25 109.31 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.2 t -39.41 -47.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.109999999999999 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.75 -63.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 74.310000000000002 109.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.8 m-85 -43.26 -43.85 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 61.32 110.962 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -53.06 -49.84 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.530000000000001 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.7 -16.94 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.120000000000005 110.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.492 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.92 -17.93 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 75.439999999999998 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.469 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 13.5 t -85.04 -31.24 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.3 OUTLIER -83.54 -29.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 110.311 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.8 t -68.61 -38.33 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.423 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.57 HD23 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -78.28 -32.91 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.510000000000005 109.366 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.425 ' N ' HD23 ' A' ' 133' ' ' LEU . 32.6 t -68.4 -48.21 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 72.109999999999999 110.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -55.56 -52.89 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 61.200000000000003 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.433 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.0 OUTLIER -86.91 3.17 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 73.430000000000007 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.2 m-20 40.1 47.97 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 75.349999999999994 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 26.7 t0 -49.39 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.409999999999997 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.51 -2.57 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 109.624 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.436 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -114.36 5.83 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 63.420000000000002 110.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -53.2 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.049999999999997 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -47.9 -31.75 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 62.340000000000003 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.96 -35.89 80.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 73.109999999999999 110.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.586 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 46.4 tp -74.1 -39.05 63.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.549999999999997 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.469 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 47.1 mm-40 -62.68 -17.18 60.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 75.310000000000002 110.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -106.18 -18.02 14.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.329999999999998 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 0.3 OUTLIER -84.95 -59.81 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.5 110.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -51.77 -20.82 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.040000000000006 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 40.3 mtm180 -86.5 -58.72 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 110.36 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -50.68 -22.58 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.7 mmp_? -83.6 -78.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 110.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.52 -55.57 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 108.34 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.28 65.28 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 61.520000000000003 111.011 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CZ3' ' OD1' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -147.33 -169.21 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.109 . . . . 73.219999999999999 108.004 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.88 61.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.349999999999994 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.573 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 4.2 tt -70.4 -22.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -56.32 -24.74 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 64.230000000000004 109.309 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 70.329999999999998 111.035 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.95 -0.86 . . . . 64.519999999999996 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.559 1.82 . . . . 75.030000000000001 110.993 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t -179.77 170.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.047 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -61.01 -50.6 84.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.519999999999996 109.348 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.96 -34.87 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 71.219999999999999 111.057 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -43.92 -47.2 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.329999999999998 109.993 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -60.49 -38.13 83.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 75.310000000000002 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -66.02 -35.94 81.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.150000000000006 111.005 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.06 -30.47 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.409999999999997 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mt -75.16 -19.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 109.319 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -71.22 -57.18 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.25 109.328 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -65.06 -10.8 48.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 71.420000000000002 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.02 19.34 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 74.209999999999994 109.324 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -99.93 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.52 136.01 2.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 61.329999999999998 110.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 38.2 tp60 -37.76 -55.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 75.239999999999995 110.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -38.84 87.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.209999999999994 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' GLY . 5.1 tptm -46.21 -31.47 2.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 75.209999999999994 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.96 -68.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 75.409999999999997 109.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 51' ' ' LEU . 94.1 mt -39.91 -58.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 74.540000000000006 109.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.5 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 74.5 111.008 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 10.8 mt -39.15 -57.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 75.439999999999998 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -43.98 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 73.209999999999994 109.306 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 93.7 m-70 -54.58 -20.02 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.576 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.2 tptm -84.66 -27.53 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 73.219999999999999 109.291 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mt -81.34 -24.81 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 27.6 mmtt -38.34 -32.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -102.81 107.07 53.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 72.209999999999994 110.422 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.792 . . . . 72.530000000000001 111.055 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -83.39 167.78 26.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.65 2.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 73.230000000000004 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.02 36.67 51.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 72.400000000000006 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 126.19 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 73.120000000000005 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.84 -0.08 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.26 -27.38 7.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 111.025 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.521 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.6 tt0 -79.98 -54.89 5.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 74.099999999999994 110.275 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 9.8 t0 -55.07 -40.57 70.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.239999999999995 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -60.65 -52.88 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 74.010000000000005 109.311 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 15' ' ' LEU . 15.0 tp -57.53 -29.04 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.9 t-160 -57.65 -32.87 67.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.598 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -81.19 -27.88 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 71.549999999999997 109.234 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 57.8 mtp -85.57 -8.26 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 74.329999999999998 110.955 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 89.8 t -94.37 -51.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.276 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -42.11 -45.81 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.3 mt -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 73.319999999999993 109.287 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -40.21 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 74.019999999999996 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -95.18 -42.4 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.91 16.34 7.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 62.329999999999998 111.011 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -118.05 71.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.420000000000002 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.03 -17.64 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 74.239999999999995 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.0 -35.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.087 . . . . 75.519999999999996 110.438 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' ILE . 16.6 mp0 -87.48 -44.41 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 110.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.63 -35.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 71.450000000000003 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -69.05 -44.29 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 110.279 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.5 mp -61.38 -55.11 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.430000000000007 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -48.28 68.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 72.25 110.027 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 9.9 mt -54.71 -48.48 72.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 75.140000000000001 109.328 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -65.06 -15.76 62.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.019999999999996 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.19 7.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 64.519999999999996 109.259 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 mt -125.07 54.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 72.010000000000005 109.264 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . 17.0 mtpp -64.9 -12.4 48.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.18 17.21 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 72.219999999999999 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' NE ' ' A' ' 71' ' ' ARG . 3.5 t0 -148.19 136.16 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 70.340000000000003 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.57 -28.99 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 71.150000000000006 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 95' ' ' ALA . 4.4 m -62.41 -34.34 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 72.310000000000002 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -66.78 -7.9 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 75.200000000000003 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 67' ' ' ASP . 6.0 mmt85 -98.47 -32.74 11.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 74.439999999999998 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -84.08 -29.16 27.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.271 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CB ' HD23 ' A' ' 42' ' ' LEU . 28.2 t -76.58 -6.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -86.22 -38.17 17.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.239999999999995 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 5.2 ptt-85 -97.93 -6.22 32.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.129999999999995 110.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.1 tp-100 -88.77 -45.02 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 75.310000000000002 110.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.626 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.8 m-90 -109.11 -59.65 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 74.340000000000003 108.03 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.46 -31.94 47.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 73.120000000000005 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 61.8 42.51 99.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 62.119999999999997 110.978 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 74.120000000000005 109.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.29 -0.263 . . . . 71.319999999999993 110.29 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.75 13.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 71.349999999999994 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.11 18.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 74.219999999999999 111.007 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.16 27.31 8.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -43.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -104.66 -33.1 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 110.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.597 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 4.0 t90 -55.58 -59.37 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 108.061 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -42.81 -48.93 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 t -49.02 -41.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.120000000000005 109.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.554 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -71.83 -26.92 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 7.0 mmt180 -79.72 -26.68 40.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 110.293 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 99' ' ' LEU . 3.3 tt -83.65 -55.39 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 9.5 m-85 -58.3 -19.87 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 74.010000000000005 111.021 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -67.65 -24.53 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.530000000000001 109.583 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -93.81 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 99' ' ' LEU . 56.7 mt -62.87 -21.78 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 73.010000000000005 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.54 -13.02 61.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 70.099999999999994 109.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.67 -19.7 16.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.400000000000006 110.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -91.65 -5.69 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 71.209999999999994 110.317 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp 68.02 42.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 72.109999999999999 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 55.2 mt -105.92 -30.01 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.1 p -149.01 148.95 28.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.229999999999997 108.271 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.41 38.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 64.310000000000002 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.9 -21.23 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.150000000000006 109.278 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 14.2 p -54.78 -44.21 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 63.520000000000003 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.41 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . 13.1 mt -66.69 -31.92 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 71.519999999999996 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 1.7 ttp180 -67.17 -30.45 70.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 73.239999999999995 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.11 -48.22 11.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.473 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 15.9 t -57.54 -36.79 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.510000000000005 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.21 79.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 75.019999999999996 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 2.3 m-85 -69.3 -41.37 76.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.519999999999996 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -56.09 -45.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 71.120000000000005 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.94 -12.8 57.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -93.74 -33.18 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 73.349999999999994 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -77.55 -29.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.129999999999995 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -77.16 -32.89 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 71.310000000000002 110.34 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -34.95 59.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.562 HD21 ' CE3' ' A' ' 94' ' ' TRP . 5.0 mp -82.91 -37.89 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 109.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 46.3 t -70.42 -33.76 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.109999999999999 110.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.6 t -68.68 -40.47 80.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 110.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.541 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 1.7 ptt85 -97.89 2.89 49.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.0 m-20 45.74 50.66 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.541 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 19.1 t0 -54.98 174.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -93.76 -1.74 54.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 72.430000000000007 109.556 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -1.3 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 75.230000000000004 110.248 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.429 HD21 ' CB ' ' A' ' 125' ' ' LEU . 3.0 tm? -47.23 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 74.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.37 8.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 64.439999999999998 111.003 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.36 -34.89 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 65.5 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.597 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 31.8 tp -72.21 -37.55 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 74.510000000000005 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 44.9 mm-40 -64.87 -14.06 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 110.329 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -103.9 -23.91 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -76.19 -61.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.349999999999994 110.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.556 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -51.34 -21.41 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 74.239999999999995 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 145' ' ' GLY . 14.5 mtm180 -86.05 -62.78 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 75.310000000000002 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -49.15 -24.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 73.25 109.258 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.5 mmp_? -84.07 -79.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 74.420000000000002 110.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.98 -56.12 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.129999999999995 108.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.17 70.83 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 62.219999999999999 111.049 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.581 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.56 -169.58 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 75.230000000000004 108.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.03 61.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.266 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.581 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 5.7 tt -71.46 -34.79 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -41.39 -29.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.040000000000006 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 110.995 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.041 -0.824 . . . . 74.439999999999998 111.041 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.474 ' CD ' HD13 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 74.409999999999997 111.011 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 178.18 152.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 64.319999999999993 109.973 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.535 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -47.65 -50.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 75.200000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.91 -25.68 11.83 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 74.519999999999996 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -51.13 -45.26 61.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 71.409999999999997 110.031 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 62.409999999999997 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.72 -33.3 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.450000000000003 110.957 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.04 -48.83 61.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 73.230000000000004 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.9 mt -62.64 -24.18 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 72.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -61.18 -49.47 77.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.313 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 -3.22 56.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 71.129999999999995 110.975 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.69 15.99 21.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 75.209999999999994 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -93.41 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 62.210000000000001 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.9 134.65 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.1 tp60 -37.88 -55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 74.140000000000001 110.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -38.58 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 63.409999999999997 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.37 -30.43 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 63.240000000000002 109.271 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.7 -67.51 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 72.140000000000001 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 51' ' ' LEU . 65.7 mt -39.4 -53.21 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 72.329999999999998 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -55.72 -73.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 75.530000000000001 110.978 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 mt -37.59 -61.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.307 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -42.03 -70.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 91.6 m-70 -52.76 -20.26 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 109.617 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.496 ' CE ' ' OE1' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -78.77 -34.2 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 74.310000000000002 109.276 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -71.07 -17.8 62.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mmtt -39.41 -30.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.1 m -112.46 95.45 31.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 51.229999999999997 110.407 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 164.01 34.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.513 1.796 . . . . 73.230000000000004 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.479 ' CG ' ' SG ' ' A' ' 37' ' ' CYS . 4.5 mmm180 -102.08 161.31 23.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.439999999999998 110.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 75.010000000000005 111.015 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.29 12.57 35.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.089 . . . . 64.420000000000002 110.97 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -86.31 128.48 34.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 73.019999999999996 108.292 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.22 2.73 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.33 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -101.08 -27.0 7.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 61.310000000000002 111.023 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 8.0 tt0 -83.06 -60.17 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 72.109999999999999 110.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.5 t0 -50.24 -43.21 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 21.6 tp -59.72 -56.12 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.27 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 15' ' ' LEU . 12.1 tp -54.46 -30.69 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.2 t-160 -55.6 -32.69 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 109.617 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -82.33 -23.66 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 65.120000000000005 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 74.6 mtp -87.25 -17.96 31.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 111.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 21.2 t -86.49 -49.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.349999999999994 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.79 -39.39 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.5 mt -61.25 -47.33 86.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.319999999999993 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 2.2 mmmp? -42.0 -28.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 65.420000000000002 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.444 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 2.1 mt -93.13 -47.34 7.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 63.210000000000001 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.75 8.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 62.32 111.035 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -111.17 85.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 75.310000000000002 110.256 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -80.68 -15.53 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -37.16 -35.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 64.25 110.442 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.4 mp0 -86.68 -43.83 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.239999999999995 110.337 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.83 -37.6 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 63.450000000000003 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -62.76 -42.83 99.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.299999999999997 110.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.1 mp -65.33 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.040000000000006 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -51.68 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.993 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HG ' ' CB ' ' A' ' 45' ' ' ALA . 15.6 mt -54.19 -48.95 70.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 73.519999999999996 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -64.11 -12.25 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.140000000000001 110.27 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.22 11.34 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 74.040000000000006 109.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -135.67 54.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -64.87 -13.37 56.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.68 52.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.200000000000003 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.37 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 61.439999999999998 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.05 -1.79 58.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.040000000000006 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 95' ' ' ALA . 6.0 t -88.91 -38.52 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.258 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -64.18 -36.81 85.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.450000000000003 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -76.29 -23.91 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 110.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -91.78 -20.76 21.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 72.019999999999996 109.284 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 77' ' ' TRP . 6.6 t -85.93 -6.89 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 73.200000000000003 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.95 -35.04 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 109.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.432 ' CZ ' HD21 ' A' ' 72' ' ' LEU . 9.3 ptt-85 -98.55 -6.82 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp-100 -88.79 -44.79 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.356 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.5 m-90 -108.33 -59.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 107.987 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -54.79 -45.13 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 75.010000000000005 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 77.12 42.47 19.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 111.036 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.5 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 71.439999999999998 109.26 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.301 -0.259 . . . . 64.25 110.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 163.27 35.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 73.219999999999999 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 73.430000000000007 110.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -117.5 27.44 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.268 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.25 -38.32 76.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 72.519999999999996 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 121' ' ' ALA . 6.7 t -101.32 -20.42 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.340000000000003 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.611 ' CD1' ' NE ' ' A' ' 98' ' ' ARG . 2.3 t90 -76.94 -63.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.010000000000005 108.011 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . . . -41.75 -52.88 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 74.140000000000001 109.235 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 9.0 p -61.37 -53.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.450000000000003 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.469 ' N ' ' CG1' ' A' ' 96' ' ' VAL . . . -50.87 -26.7 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 73.310000000000002 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.611 ' NE ' ' CD1' ' A' ' 94' ' ' TRP . 16.2 mtt180 -88.01 -31.77 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 72.010000000000005 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 99' ' ' LEU . 3.8 tt -66.57 -44.4 82.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.17 -24.46 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 75.329999999999998 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.5 t60 -60.71 -26.75 67.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 73.219999999999999 109.621 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.3 mt -89.24 -35.91 15.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.140000000000001 109.251 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.2 -19.99 65.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.230000000000004 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.32 -13.41 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.38 -17.87 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.319999999999993 110.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.1 0.65 51.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.310000000000002 110.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 32.42 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.461 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 95.9 mt -97.73 -32.53 11.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.319999999999993 109.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.3 m -140.87 145.07 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 108.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.72 42.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 61.130000000000003 110.989 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.17 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 75.129999999999995 109.347 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 p -54.95 -34.31 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 73.209999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.474 HD13 ' CD ' ' A' ' 6' ' ' PRO . 3.1 mm? -76.24 -36.87 58.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 75.25 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.6 ttp180 -62.2 -24.91 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 110.268 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.613 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -83.58 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 73.049999999999997 109.315 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.461 ' N ' ' OD2' ' A' ' 115' ' ' ASP . 40.2 t -50.03 -38.94 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.278 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -62.03 -61.93 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.030000000000001 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 2.0 m-85 -46.2 -46.98 17.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 73.540000000000006 111.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.45 ' NE2' ' OD2' ' A' ' 115' ' ' ASP . 85.2 mt-30 -49.94 -56.68 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.9 -14.36 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 54.32 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.457 ' N ' ' OG ' ' A' ' 93' ' ' SER . . . -90.48 -34.63 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.372 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -75.59 -28.33 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 72.239999999999995 109.272 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -78.58 -29.0 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 110.278 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -73.72 -45.35 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.5 110.41 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.566 HD23 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -75.48 -30.84 60.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 71.219999999999999 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 28.8 m -73.33 -47.98 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 74.239999999999995 109.983 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.019999999999996 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.456 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -87.9 -7.36 57.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.230000000000004 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 53.23 41.12 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 72.120000000000005 109.252 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.495 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 24.6 t0 -54.61 179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 74.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -98.25 -4.41 35.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.4 OUTLIER -109.72 10.03 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.7 tm? -61.1 -68.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.049999999999997 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -49.19 -33.6 15.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 44.439999999999998 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.68 -35.01 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.340000000000003 110.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.601 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 36.4 tp -70.75 -41.5 71.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.409999999999997 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 41.5 mm-40 -62.63 -13.77 35.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.439999999999998 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.48 -5.18 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 72.120000000000005 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.29 -46.4 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 70.510000000000005 110.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.67 -16.24 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.040000000000006 109.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 145' ' ' GLY . 45.6 mtm180 -91.67 -58.67 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 73.319999999999993 110.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.65 -22.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 109.311 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 14.0 mmp_? -85.52 -78.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 73.319999999999993 110.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.59 -55.48 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 71.430000000000007 108.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.78 67.82 0.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 62.5 110.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.613 ' CZ3' ' OD1' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -150.03 -170.79 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 74.150000000000006 107.99 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.74 61.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 71.430000000000007 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.586 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 9.8 tt -68.14 -34.51 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 75.099999999999994 109.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -42.57 -30.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 111.003 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 74.150000000000006 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.448 ' CD ' HD11 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -74.99 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 72.439999999999998 111.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t 179.85 174.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 70.319999999999993 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -68.93 -50.84 20.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 65.319999999999993 109.318 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.93 -30.01 7.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 73.5 110.981 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.401 ' OG ' ' OH ' ' A' ' 100' ' ' TYR . 38.1 t -47.17 -48.79 23.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 70.310000000000002 110.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.03 -29.6 67.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -77.72 -35.07 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 74.040000000000006 111.013 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -70.36 -38.36 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.97 -20.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -69.35 -60.99 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 73.140000000000001 109.321 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.12 -12.2 36.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 111.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.91 17.44 20.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 62.43 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.93 -75.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 72.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 175.35 137.93 2.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 110.976 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -43.22 -48.09 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 73.329999999999998 110.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.15 -28.19 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.310000000000002 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.8 tptt -58.99 -25.96 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.519999999999996 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -87.76 -54.68 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 75.7 mt -48.62 -41.38 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 73.109999999999999 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -60.79 -78.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 111.012 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 56.0 mt -39.84 -38.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -53.5 -57.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.519999999999996 109.267 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 94.3 m-70 -62.44 -13.64 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.340000000000003 109.592 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -84.94 -40.42 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.3 mt -68.03 -22.0 64.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 71.540000000000006 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 34.5 mmtt -39.34 -31.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 71.510000000000005 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.2 m -115.45 92.07 31.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 73.319999999999993 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.86 42.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 75.019999999999996 111.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.19 158.01 36.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.258 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 75.450000000000003 111.035 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.3 22.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 71.549999999999997 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 129.52 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 73.019999999999996 108.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.409 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.64 1.57 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 75.239999999999995 110.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -102.78 -28.01 6.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 73.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.485 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 75.549999999999997 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 8.6 t0 -47.4 -40.24 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.25 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.06 -51.99 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.120000000000005 109.342 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 99' ' ' LEU . 7.0 tp -58.8 -32.83 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 72.519999999999996 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -59.41 -21.96 60.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.299999999999997 109.64 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.417 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . . . -88.7 -19.96 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.57 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 30.9 mtp -98.74 -11.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 72.430000000000007 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 98.4 t -86.0 -53.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 1.1 mm? -40.15 -49.17 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.9 mt -50.73 -53.44 31.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 72.319999999999993 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -41.07 -29.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.288 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -88.02 -46.03 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.309 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 119.23 8.51 9.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.466 1.104 . . . . 52.130000000000003 111.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -121.36 83.02 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 73.120000000000005 110.264 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -73.34 -19.43 61.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.72 -37.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.385 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -82.82 -43.86 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 72.129999999999995 110.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' GLU . . . -47.54 -38.21 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.099999999999994 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -61.45 -44.62 96.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 74.010000000000005 110.33 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -60.14 -58.81 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 109.296 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.59 -45.2 57.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.310000000000002 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 45' ' ' ALA . 9.6 mt -55.22 -43.87 74.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 73.329999999999998 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.05 -19.15 64.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 73.239999999999995 110.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -5.26 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 71.040000000000006 109.318 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.0 mt -117.93 46.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 74.530000000000001 109.335 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.37 -23.12 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.76 -59.37 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.411 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -60.4 133.62 56.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.291 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.59 -12.39 37.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.4 t -74.71 -23.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.409 ' CA ' HD23 ' A' ' 61' ' ' LEU . . . -64.97 -57.8 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 71.219999999999999 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 67' ' ' ASP . 1.4 mpp_? -52.27 -52.61 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.420000000000002 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 1.9 tm? -59.56 -40.57 87.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 24.1 t -71.9 -4.59 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 70.25 109.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.92 -52.45 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 74.340000000000003 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.43 -6.8 57.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.262 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -86.91 -42.2 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 74.140000000000001 110.348 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.792 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.3 m-90 -116.97 -59.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 72.329999999999998 107.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -20.37 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 62.3 26.11 67.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 111.035 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.475 HG21 ' CB ' ' A' ' 74' ' ' ALA . 77.1 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.310000000000002 109.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.334 -0.247 . . . . 71.129999999999995 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.97 173.11 15.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 74.549999999999997 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 75.019999999999996 111.02 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 37.4 m-20 -119.86 23.21 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 73.040000000000006 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -37.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 74.329999999999998 109.338 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -105.51 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 2.2 t90 -44.8 -55.46 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 108.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 69' ' ' VAL . . . -49.12 -45.41 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.230000000000004 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 30.9 t -58.86 -39.65 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.129999999999995 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.501 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -66.42 -63.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 52.25 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.409 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 17.3 mtt180 -50.28 -31.62 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 73.430000000000007 110.316 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 3.0 tp -67.23 -51.89 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 72.420000000000002 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-85 -70.09 -19.01 63.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.407 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 2.0 t60 -59.95 -24.24 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 75.340000000000003 109.585 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -97.33 -30.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 71.019999999999996 109.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.26 -17.65 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.28 -11.61 59.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 72.140000000000001 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.67 -20.14 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 64.299999999999997 110.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.0 -19.23 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.510000000000005 110.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp 77.52 26.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.140000000000001 109.321 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.1 mt -90.63 -34.96 15.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 149.27 48.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.530000000000001 108.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.61 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 73.120000000000005 110.961 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.39 44.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.319999999999993 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.7 m -58.07 -26.46 62.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 51.350000000000001 109.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.448 HD11 ' CD ' ' A' ' 6' ' ' PRO . 3.5 mm? -80.71 -61.57 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.329999999999998 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.455 ' CZ ' ' SG ' ' A' ' 144' ' ' CYS . 4.9 ttm180 -42.07 -34.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -68.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 t -46.47 -30.6 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 65.510000000000005 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -49.46 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.25 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 140' ' ' ALA . 1.6 m-85 -58.22 -48.97 78.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.977 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' VAL . 69.4 mt-30 -47.93 -60.63 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 72.219999999999999 110.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.41 -23.93 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.230000000000004 110.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.08 -30.77 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 64.420000000000002 109.275 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.501 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 36.1 t -64.2 -31.28 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 63.509999999999998 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' LEU . 20.3 mmt180 -75.47 -62.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 110.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -37.95 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.377 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mp -88.13 -61.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.43 ' N ' HD23 ' A' ' 133' ' ' LEU . 46.9 t -38.43 -48.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 110.041 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.6 p -52.72 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.005 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.608 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.06 5.54 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 72.519999999999996 110.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.9 t0 41.15 37.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 73.25 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.608 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 16.0 t0 -40.32 157.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -78.43 -0.07 27.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.62 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.41 -1.66 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 110.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -49.66 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 72.140000000000001 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.535 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -45.12 -34.0 4.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 72.329999999999998 110.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.81 -39.36 80.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 65.439999999999998 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 41.4 tp -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.340000000000003 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.501 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 55.4 mm-40 -69.69 -21.35 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.099999999999994 110.28 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.447 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 14.1 t70 -107.24 -2.72 20.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -99.64 -42.99 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 110.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . . . -59.24 -16.66 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 109.32 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 145' ' ' GLY . 13.2 ptp180 -100.67 -44.54 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.519999999999996 110.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . 0.507 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 10.7 t-20 -63.44 -10.15 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 143' ' ' ARG . 15.2 mmp_? -102.07 -40.9 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 72.310000000000002 110.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -102.73 -57.57 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 108.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 108.88 70.27 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 110.973 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.577 ' CZ2' ' HB ' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -156.81 -174.77 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.997 -1.112 . . . . 74.439999999999998 107.997 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -109.16 64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.577 ' HB ' ' CZ2' ' A' ' 146' ' ' TRP . 9.5 tt -67.14 -30.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -67.32 -10.24 48.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.420000000000002 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 74.019999999999996 110.981 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.831 . . . . 72.319999999999993 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -75.03 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 75.140000000000001 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 179.9 177.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.014 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.514 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -69.2 -51.62 17.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -27.85 9.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 72.340000000000003 111.022 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -51.22 -41.06 60.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 74.010000000000005 110.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 100' ' ' TYR . . . -66.96 -36.5 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 64.140000000000001 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -67.62 -35.65 79.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 111.007 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -68.01 -52.71 32.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 109.281 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 mt -61.03 -25.0 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 74.430000000000007 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 46' ' ' MET . 0.6 OUTLIER -62.04 -50.61 71.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.508 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -73.97 -18.69 79.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 71.530000000000001 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 2.74 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 73.519999999999996 109.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.444 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -82.64 -69.27 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 169.92 137.15 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 71.030000000000001 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLY . 44.3 tp60 -37.62 -61.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 63.140000000000001 110.337 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.23 -34.53 77.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 63.299999999999997 109.265 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -50.28 -30.48 11.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 72.040000000000006 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.55 -56.33 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.292 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.1 mm? -50.43 -53.29 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -51.38 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 40.8 mt -39.48 -47.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 62.200000000000003 109.343 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.02 -52.35 58.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 73.329999999999998 109.284 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.26 -13.45 28.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.618 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.88 -49.99 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 75.400000000000006 109.253 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -63.72 -13.06 40.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 30.0 mmtt -39.18 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.040000000000006 109.332 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 30' ' ' LEU . 8.9 m -125.94 107.49 25.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.413 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.58 41.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 73.540000000000006 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 3.4 mmm180 -97.95 161.09 26.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.140000000000001 110.336 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 71.439999999999998 110.986 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.8 7.93 37.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.08 127.99 36.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.353 -0.981 . . . . 73.140000000000001 108.353 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.26 3.19 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 110.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.69 -25.04 8.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 75.530000000000001 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.508 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 6.6 tt0 -84.85 -54.82 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 71.420000000000002 110.337 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 17.9 t0 -56.81 -40.9 76.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.92 -53.18 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.129999999999995 109.266 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 99' ' ' LEU . 14.2 tp -58.4 -27.06 63.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 71.540000000000006 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 6.2 t-160 -63.49 -25.35 68.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 109.62 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -88.44 -14.17 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 75.409999999999997 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 55.7 mtp -98.61 -9.02 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 110.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' LYS . 55.2 t -95.44 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 73.530000000000001 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 77' ' ' TRP . 8.0 mp -53.2 -49.53 66.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.549999999999997 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.2 mmmt -45.99 -29.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 75.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 1.8 mp -85.12 -50.77 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.64 0.49 6.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 72.329999999999998 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.47 84.99 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 73.120000000000005 110.299 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CB ' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -75.95 -18.22 59.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 110.321 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -40.51 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.374 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.4 mm-40 -93.38 -44.41 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 75.129999999999995 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.03 -39.35 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 75.299999999999997 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -64.22 -53.28 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.200000000000003 110.32 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.2 mp -49.3 -44.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 72.120000000000005 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.61 -46.14 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.98 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 7.1 mt -60.04 -30.7 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 70.519999999999996 109.335 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.29 -15.22 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.56 -1.01 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -121.81 51.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 109.285 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 2.1 mmmm -48.49 -33.59 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.72 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 72.25 109.294 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.492 ' OD1' ' CG2' ' A' ' 69' ' ' VAL . 3.4 t0 -69.19 134.61 49.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.17 -31.86 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.530000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 m -57.45 -21.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -65.59 -47.72 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 72.120000000000005 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -64.27 -55.29 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -54.11 -50.13 67.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.230000000000004 109.266 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.576 HG11 ' CE3' ' A' ' 77' ' ' TRP . 42.1 t -58.84 -15.79 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.150000000000006 109.263 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -75.48 -63.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 5.9 ptt-85 -73.19 -6.21 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 110.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 tp60 -87.72 -44.02 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.0 m-90 -114.22 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.986 -1.116 . . . . 74.230000000000004 107.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -45.42 -26.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.262 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.45 18.24 78.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 45.409999999999997 110.974 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.434 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 71.510000000000005 109.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.305 -0.257 . . . . 74.409999999999997 110.305 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG2' ' CG1' ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.97 161.27 39.11 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 65.439999999999998 111.007 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.581 1.832 . . . . 73.299999999999997 111.067 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.436 ' N ' ' OD2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -116.01 20.95 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 73.219999999999999 109.279 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -39.31 -78.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.530000000000001 109.283 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 94' ' ' TRP . 4.3 m -70.57 -45.8 64.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.944 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' A' ' 136' ' ' LEU . 3.4 t90 -39.8 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.948 -1.13 . . . . 73.450000000000003 107.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.33 -56.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 62.399999999999999 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 24.2 t -47.16 -43.88 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.0 -31.29 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' ALA . 4.5 mtt180 -81.11 -18.71 45.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.510000000000005 110.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -82.32 -46.65 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 11' ' ' ALA . 5.3 m-85 -67.36 -20.26 65.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 70.540000000000006 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.11 -31.72 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 75.030000000000001 109.565 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.5 mt -88.92 -29.04 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.99 -19.69 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 75.150000000000006 109.335 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.89 -10.04 59.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 74.540000000000006 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.67 -20.38 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.51 -16.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.400000000000006 110.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp 77.14 23.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.429 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt -93.3 -36.55 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 109.276 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.39 148.94 61.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.230000000000004 108.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 74.430000000000007 111.037 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.72 -14.92 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.328 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.5 m -56.98 -37.88 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.040000000000006 109.995 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.2 mt -70.32 -44.75 67.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 109.336 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.558 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.4 ttp180 -47.98 -23.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 71.299999999999997 110.278 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.589 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -84.87 -70.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.5 109.247 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.3 t -40.82 -30.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 75.510000000000005 109.294 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 115' ' ' ASP . . . -72.07 -55.3 7.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 64.439999999999998 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -54.45 -44.34 72.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 65.310000000000002 110.985 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.528 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 62.5 mt-30 -54.39 -47.61 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 110.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.83 -12.77 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.97 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 73.140000000000001 109.281 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.528 ' CG1' ' HA ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -52.15 -28.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 61.229999999999997 109.285 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -65.48 -35.13 79.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 110.254 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.26 -33.29 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 94' ' ' TRP . 3.6 mt -74.37 -30.13 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.200000000000003 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 t -78.63 -41.11 32.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.995 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -59.12 -40.03 84.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 74.400000000000006 110.009 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.437 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 3.2 ptt85 -101.86 4.74 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.409999999999997 110.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 130' ' ' ASP . 4.0 m-20 40.19 48.14 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 73.519999999999996 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -47.51 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 74.230000000000004 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -87.75 0.69 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 72.219999999999999 109.637 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -119.88 4.11 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.200000000000003 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 0.9 OUTLIER -54.11 -65.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 54.219999999999999 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.507 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -51.77 -31.45 30.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 74.349999999999994 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.87 -32.66 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 73.219999999999999 110.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.2 tp -73.23 -44.75 59.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.049999999999997 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.474 ' CD ' ' CG2' ' A' ' 122' ' ' VAL . 6.8 mm-40 -64.96 -13.74 58.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 75.140000000000001 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.3 -15.35 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 63.549999999999997 109.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -92.29 -58.44 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 70.099999999999994 109.291 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 145' ' ' GLY . 55.8 mtm180 -86.29 -59.47 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.299 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.94 -22.64 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.109999999999999 109.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.5 mmp_? -83.97 -78.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.25 -56.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 60.409999999999997 108.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 103.13 64.93 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 110.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -148.58 -168.6 3.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.005 -1.109 . . . . 75.510000000000005 108.005 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.45 63.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 73.400000000000006 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.601 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.1 tt -62.62 -40.2 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.319999999999993 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -48.6 -26.9 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 63.25 111.034 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.014 -0.834 . . . . 54.310000000000002 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.03 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 72.329999999999998 111.027 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 81.8 p -179.69 -179.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 53.549999999999997 109.972 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -70.73 -50.58 12.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 64.239999999999995 109.278 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -38.46 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 70.439999999999998 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 10.7 t -40.96 -45.23 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 65.530000000000001 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -61.64 -45.52 93.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 70.209999999999994 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.729 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -57.59 -34.86 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 74.200000000000003 111.047 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.28 -52.34 48.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 65.129999999999995 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.77 -20.07 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 71.219999999999999 109.311 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 46' ' ' MET . 1.2 tp -71.83 -41.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 73.329999999999998 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.55 1.94 80.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 55.340000000000003 111.025 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.75 6.78 21.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 71.319999999999993 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -82.54 -63.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 158.82 135.05 1.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 65.439999999999998 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.5 tp60 -36.76 -63.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 54.009999999999998 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -37.47 76.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 73.129999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.466 ' NZ ' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -50.12 -30.04 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 109.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.43 -57.74 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 73.329999999999998 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.9 mm? -48.91 -54.02 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 109.308 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.466 ' CD2' ' NZ ' ' A' ' 22' ' ' LYS . 1.9 t80 -52.7 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 111.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' LYS . 58.6 mt -38.98 -60.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.219999999999999 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -45.38 -48.32 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 109.311 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 81.3 m-70 -62.39 -32.76 73.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.420000000000002 109.629 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.3 tttp -72.71 -31.99 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 73.329999999999998 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.7 mt -73.08 -20.95 60.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 75.349999999999994 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 8.3 mmtt -39.29 -30.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 74.099999999999994 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 m -108.56 100.75 39.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 71.340000000000003 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.57 31.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 75.120000000000005 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' NE ' ' CA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -114.24 166.97 10.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 74.040000000000006 110.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.92 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 72.340000000000003 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.02 15.19 36.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 16.0 p -67.98 123.74 21.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.279 -1.008 . . . . 74.439999999999998 108.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.65 0.39 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -116.47 -33.06 1.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 63.219999999999999 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.3 tt0 -74.59 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 75.040000000000006 110.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 3.4 t70 -53.51 -36.75 62.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 73.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.34 -57.31 12.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 73.420000000000002 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 47' ' ' VAL . 1.7 tt -55.72 -30.09 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 73.120000000000005 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 6.0 t-160 -56.05 -31.17 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 109.545 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 61' ' ' LEU . . . -83.74 -26.29 29.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 73.140000000000001 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 75.9 mtp -80.19 -12.06 59.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 73.239999999999995 110.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.469 ' CG2' HD21 ' A' ' 43' ' ' LEU . 97.0 t -95.17 -51.19 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.309 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.35 -48.98 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.66 -50.49 65.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.219999999999999 109.282 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmmt -51.43 -24.79 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 9.4 mt -87.12 -43.64 12.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.530000000000001 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.56 15.42 8.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 75.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.67 80.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 75.340000000000003 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.9 pt-20 -73.48 -18.4 61.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 73.109999999999999 110.256 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.26 -34.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.129999999999995 110.368 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 12.1 mp0 -86.29 -45.61 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.430000000000007 110.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' GLU . . . -44.83 -41.0 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 109.316 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -60.19 -40.55 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 75.120000000000005 110.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -63.35 -59.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.219999999999999 109.295 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -49.69 -52.4 31.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.140000000000001 110.002 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -56.19 -42.01 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.129999999999995 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.39 -15.06 60.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 74.030000000000001 110.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' ILE . . . -88.53 12.82 13.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 4.4 mt -125.13 53.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -58.65 -17.36 21.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.200000000000003 109.282 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.05 -56.15 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.209999999999994 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.85 131.35 41.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 72.25 109.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.24 -5.06 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' LEU . 86.3 t -90.51 -53.47 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.504 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -45.8 -28.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 74.099999999999994 109.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -40.57 38.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.439999999999998 110.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.504 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -72.79 -10.84 60.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 75.299999999999997 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.516 HG12 ' CE3' ' A' ' 77' ' ' TRP . 3.9 t -91.85 -5.62 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.566 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.67 -35.2 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 65.310000000000002 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.504 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 7.5 ptt-85 -99.12 -5.75 29.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 72.409999999999997 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -89.33 -45.79 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 72.439999999999998 110.306 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.729 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.4 m-90 -108.34 -61.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.140000000000001 107.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -48.35 -23.89 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 72.79 19.41 79.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 111.022 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.443 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.5 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 72.420000000000002 109.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 71.040000000000006 110.331 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.467 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 160.4 40.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 73.430000000000007 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 75.439999999999998 111.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -118.33 27.02 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 75.439999999999998 109.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -78.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' TRP . 11.1 t -65.67 -46.62 78.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 72.439999999999998 110.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.617 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 4.2 t90 -41.33 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 75.129999999999995 108.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.8 -55.41 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.519999999999996 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.437 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 23.1 t -47.84 -40.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 71.430000000000007 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -71.75 -29.06 64.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.157 . . . . 75.120000000000005 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.517 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 5.2 mmt180 -75.03 -22.56 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.25 110.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.474 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 3.5 tt -82.18 -52.26 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 72.219999999999999 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 9.2 m-85 -60.4 -17.88 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.400000000000006 110.974 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.567 ' CD2' HD23 ' A' ' 102' ' ' LEU . 1.1 t60 -67.92 -26.51 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.109999999999999 109.612 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -92.76 -30.78 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 72.099999999999994 109.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.96 -25.92 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.549999999999997 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.97 -9.89 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.46 -19.84 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 110.339 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.68 -18.59 26.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 110.296 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm 78.42 31.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.46 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 33.7 mt -102.73 -36.53 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 72.310000000000002 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.2 m -131.55 145.23 56.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 64.420000000000002 108.297 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.23 20.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 64.230000000000004 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.95 -10.24 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 74.340000000000003 109.249 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -64.08 -34.9 79.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.87 -43.72 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 109.285 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -49.78 -24.27 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 72.099999999999994 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.473 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 1.4 m-20 -84.37 -71.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.150000000000006 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.3 t -39.61 -34.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.040000000000006 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -55.18 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.303 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.32 -46.95 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.23 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.219999999999999 110.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.45 -21.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 110.288 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.71 -42.97 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 71.349999999999994 109.295 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.412 ' N ' HD22 ' A' ' 136' ' ' LEU . 1.3 m -66.01 -22.85 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.420000000000002 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.62 -69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 75.510000000000005 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -41.47 -27.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 73.430000000000007 110.359 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.485 HD11 ' CE3' ' A' ' 94' ' ' TRP . 6.4 mt -83.97 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 72.400000000000006 109.251 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' LEU . 7.2 t -37.24 -39.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 74.409999999999997 110.014 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -60.67 -56.84 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.230000000000004 109.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.431 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -81.84 5.26 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 110.312 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.0 t0 43.6 38.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 74.540000000000006 109.304 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.431 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 15.5 t0 -41.3 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.29 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -81.46 -1.98 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 109.592 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -2.56 14.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 72.239999999999995 110.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.97 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 71.519999999999996 109.329 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -47.31 -32.77 7.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 74.120000000000005 111.013 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.47 -34.71 74.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 72.329999999999998 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.617 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 30.9 tp -69.8 -40.46 75.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.266 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 38.3 mm-40 -66.17 -17.95 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.019999999999996 110.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -98.51 -8.04 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.409999999999997 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.427 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -98.3 -53.08 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.230000000000004 110.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.501 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -57.28 -17.26 11.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 55.219999999999999 109.307 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.7 mtm180 -93.82 -58.83 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.340000000000003 110.331 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.78 -20.28 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 73.409999999999997 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 139' ' ' GLU . 9.2 mmp_? -84.62 -73.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 74.439999999999998 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -71.8 -56.24 6.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 71.319999999999993 108.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 105.0 64.31 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -146.43 -169.89 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 73.530000000000001 107.997 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.34 66.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 60.530000000000001 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.573 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 7.8 tt -70.15 -38.38 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -48.8 -23.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 72.239999999999995 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 73.129999999999995 110.996 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.998 -0.841 . . . . 74.239999999999995 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.98 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 75.420000000000002 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t 179.38 177.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 74.200000000000003 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.498 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -66.57 -53.14 31.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 -27.31 10.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.329999999999998 111.048 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.411 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 10.0 t -49.77 -46.35 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 71.340000000000003 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -64.23 -32.34 73.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 62.420000000000002 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -65.08 -34.17 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.019999999999996 110.994 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.19 -35.15 71.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.47 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 9.7 mt -72.92 -17.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 43' ' ' LEU . 1.4 mt -71.14 -52.27 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.129999999999995 109.256 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.35 -2.14 58.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.55 1.156 . . . . 71.329999999999998 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.95 -23.89 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 73.349999999999994 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -58.8 -66.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 65.420000000000002 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.5 139.77 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.952 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -39.79 -64.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 64.319999999999993 110.326 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.52 -24.2 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 72.319999999999993 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.2 tptt -63.78 -17.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.25 109.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' GLY . 1.6 mt -91.57 -47.64 7.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.420000000000002 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 51' ' ' LEU . 76.6 mt -59.17 -51.08 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.5 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -51.64 -61.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 25' ' ' TYR . 42.7 mt -54.48 -40.41 68.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 73.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tmmt? -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 75.099999999999994 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 88.3 m-70 -75.19 -0.66 20.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 109.633 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 3.0 tptt -94.98 -41.91 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 74.430000000000007 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -77.49 -11.48 59.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.420000000000002 109.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 12.2 mmtt -37.12 -33.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 75.129999999999995 109.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -118.4 120.41 32.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 71.040000000000006 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.33 37.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 63.140000000000001 111.031 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -110.04 162.74 19.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 110.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 74.299999999999997 111.002 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.7 29.37 9.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 71.040000000000006 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 125.34 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.323 -0.991 . . . . 73.5 108.323 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.68 2.22 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -105.34 -24.57 7.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.105 . . . . 44.509999999999998 111.025 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt0 -82.87 -53.26 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 75.109999999999999 110.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.494 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.0 t0 -59.7 -40.94 89.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.452 ' CD2' HG21 ' A' ' 73' ' ' VAL . 1.8 tt -62.01 -52.33 64.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 75.109999999999999 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 5.7 tp -57.88 -28.95 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 74.109999999999999 109.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.7 t-160 -61.25 -27.49 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.581 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . . . -89.55 -13.94 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 74.010000000000005 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 99' ' ' LEU . 49.4 mtp -98.16 -7.92 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 73.140000000000001 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 50.8 t -95.24 -53.26 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 74.299999999999997 109.269 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -41.32 -41.8 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 71.540000000000006 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLY . 1.2 mp -60.25 -48.55 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 72.120000000000005 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -41.29 -29.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 72.25 109.293 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 24' ' ' LEU . 2.8 mt -97.36 -37.67 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 71.439999999999998 109.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 111.75 19.19 7.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -116.56 59.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 73.299999999999997 110.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.2 pt-20 -61.74 -20.26 63.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 74.340000000000003 110.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.86 -44.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 61.229999999999997 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.9 mp0 -79.58 -41.13 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 72.519999999999996 110.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -47.78 -33.32 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 53.310000000000002 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.13 -36.52 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 110.266 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.0 mp -67.77 -51.03 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 73.310000000000002 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -56.13 -51.08 69.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.099999999999994 109.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 45' ' ' ALA . 11.6 mt -50.73 -43.44 58.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 63.329999999999998 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.98 -29.61 70.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 110.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -12.57 53.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 75.200000000000003 109.285 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.29 48.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.450000000000003 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.3 -15.8 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.306 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.77 -25.34 26.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 72.439999999999998 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.3 110.33 21.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 109.268 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -68.79 -8.69 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.342 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 0.9 OUTLIER -83.12 -31.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 109.257 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.04 -69.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 64.25 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -50.23 -21.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 72.109999999999999 110.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -82.36 -34.06 28.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 74.219999999999999 109.337 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.522 HG12 ' CE3' ' A' ' 77' ' ' TRP . 4.8 t -73.71 -6.79 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.140000000000001 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.55 -36.27 24.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 64.530000000000001 109.296 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -97.92 -6.14 32.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 74.340000000000003 110.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.52 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 4.4 tp-100 -89.4 -44.91 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.230000000000004 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.757 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.4 m-90 -108.9 -59.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 72.25 107.967 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -42.43 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 74.51 41.95 34.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 64.310000000000002 110.969 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 79' ' ' GLY . 23.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 74.230000000000004 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 92' ' ' VAL . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 64.140000000000001 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.52 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.02 164.66 32.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 73.010000000000005 110.984 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.04 10.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 75.109999999999999 111.055 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.477 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 44.1 m-20 -119.23 26.94 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -43.82 -79.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 74.040000000000006 109.32 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' TRP . 58.8 m -68.34 -47.67 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.209999999999994 109.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.609 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.0 t90 -40.16 -68.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 108.01 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 99' ' ' LEU . . . -39.73 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 70.409999999999997 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.85 -44.52 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 63.439999999999998 109.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -66.89 -30.15 70.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.230000000000004 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.719 ' NH2' ' HE2' ' A' ' 139' ' ' GLU . 55.4 mtt180 -80.43 -22.82 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 110.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.454 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 5.3 tt -81.97 -48.15 11.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 75.219999999999999 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.9 m-85 -66.73 -27.77 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 73.140000000000001 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.6 t60 -53.8 -29.15 39.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 73.200000000000003 109.61 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 1.7 mt -87.85 -40.52 13.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.81 -14.58 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.539 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -74.85 -23.03 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.209999999999994 109.28 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.85 -20.21 16.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' ' HG ' ' A' ' 108' ' ' LEU . 67.3 mm-40 -79.5 -8.76 59.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 75.400000000000006 110.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.83 20.22 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.462 ' HG ' ' CB ' ' A' ' 106' ' ' GLU . 35.2 mt -91.58 -37.82 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.030000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.6 m -137.03 148.73 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.510000000000005 108.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.93 25.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 63.210000000000001 111.035 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.83 -4.99 54.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 73.030000000000001 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -8.02 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 110.002 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.9 mt -100.62 -27.04 13.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 71.409999999999997 109.262 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 118' ' ' TYR . 13.0 ttm180 -73.5 -28.15 61.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 110.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 2.0 p30 -77.81 -50.57 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 53.299999999999997 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.3 t -61.71 -34.48 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.55 90.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 74.019999999999996 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 114' ' ' ARG . 2.8 m-85 -65.77 -43.59 88.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 63.549999999999997 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -52.94 -50.22 64.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.519999999999996 110.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HB3' ' NH2' ' A' ' 123' ' ' ARG . 49.2 mt-10 -64.22 -10.75 25.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 110.361 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.57 -29.08 14.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 72.109999999999999 109.336 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -82.07 -29.07 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 64.25 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.83 -21.06 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.327 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.548 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -82.62 -40.02 21.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 75.420000000000002 110.398 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.566 HD23 ' CE3' ' A' ' 94' ' ' TRP . 4.8 mp -80.67 -36.52 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.530000000000001 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 29.7 t -68.09 -37.84 81.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 t -63.99 -43.88 94.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.986 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -89.94 -5.27 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.313 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 45.1 t0 54.74 43.38 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.219999999999999 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 20.3 t0 -52.13 177.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.25 109.276 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -98.24 2.37 48.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.200000000000003 109.6 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.2 -3.26 12.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 73.219999999999999 110.306 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.25 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 72.129999999999995 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.463 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -48.6 -34.2 13.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.05 -32.86 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 73.5 110.317 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.609 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 32.9 tp -72.08 -41.8 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.010000000000005 109.263 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 40.6 mm-40 -62.81 -13.57 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 73.219999999999999 110.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -106.66 -4.81 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.719 ' HE2' ' NH2' ' A' ' 98' ' ' ARG . 8.6 tt0 -99.33 -45.32 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 53.439999999999998 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.5 -13.99 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' GLY . 28.0 mtm180 -92.92 -61.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 75.239999999999995 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.55 -22.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.239999999999995 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.441 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.6 mmp_? -84.7 -78.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 75.319999999999993 110.328 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.49 -55.21 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.519999999999996 108.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.5 69.01 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 73.230000000000004 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.58 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.13 -170.57 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.976 -1.12 . . . . 72.200000000000003 107.976 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.49 63.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.278 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.58 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.8 tt -72.35 -18.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -71.23 -6.92 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 72.420000000000002 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 62.100000000000001 111.047 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.829 . . . . 63.100000000000001 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -168.14 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.523 1.801 . . . . 73.409999999999997 110.991 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -170.64 177.83 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 71.349999999999994 110.02 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -69.09 -52.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -29.32 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.239999999999995 111.019 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 t -47.71 -45.47 28.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -62.89 -30.74 71.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 63.200000000000003 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -68.78 -36.89 78.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.439999999999998 111.044 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.08 -35.16 71.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 71.530000000000001 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 mt -70.66 -26.06 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 43' ' ' LEU . 1.6 mt -61.11 -50.78 71.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 74.400000000000006 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.3 58.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 71.140000000000001 110.964 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.69 15.34 28.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.777 . . . . 74.450000000000003 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.67 -61.2 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 73.129999999999995 109.315 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 154.96 132.77 1.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 72.010000000000005 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' GLY . 40.8 tp60 -37.29 -56.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 75.120000000000005 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.29 -40.73 96.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.049999999999997 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.2 tptt -47.49 -31.59 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.549999999999997 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -52.1 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.450000000000003 109.3 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.6 mm? -53.52 -50.13 66.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 64.319999999999993 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.41 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.420000000000002 110.99 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.544 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 33.8 mt -42.94 -43.3 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 73.049999999999997 109.27 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -53.49 -52.79 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 72.25 109.269 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.9 m-70 -62.8 -12.97 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.609 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -86.68 -50.62 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.64 -13.27 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 71.430000000000007 109.321 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 21.0 mmtt -38.78 -40.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 72.439999999999998 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' NH1' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -119.91 120.55 30.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.319999999999993 110.443 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 74.400000000000006 111.012 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 7.6 mmm180 -103.34 163.43 17.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 73.209999999999994 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 97.62 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 63.119999999999997 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.74 22.76 15.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 111.027 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 125.19 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.278 -1.008 . . . . 73.209999999999994 108.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.91 0.63 6.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.52 -28.41 7.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 110.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 5.0 tt0 -78.89 -56.78 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 75.329999999999998 110.341 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.3 t0 -53.14 -40.16 64.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -63.4 -54.74 31.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.310000000000002 109.251 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 15' ' ' LEU . 1.1 tt -54.34 -27.62 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.120000000000005 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 9.0 t-160 -60.54 -33.83 73.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 74.150000000000006 109.61 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -78.49 -29.16 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 74.420000000000002 109.255 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' ' CD2' ' A' ' 12' ' ' PHE . 84.9 mtp -83.64 -9.47 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.329999999999998 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 43' ' ' LEU . 14.2 t -95.23 -53.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 70.010000000000005 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.27 -45.39 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 54' ' ' GLU . 12.8 mt -55.6 -49.44 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 1.9 mmmp? -45.33 -26.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 109.322 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.432 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -92.07 -43.61 9.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 109.303 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.64 16.86 6.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.06 83.24 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 72.129999999999995 110.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -77.34 -17.43 58.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 110.302 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.94 -34.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 110.354 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ILE . 4.2 mp0 -89.51 -45.14 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.16 -41.01 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.140000000000001 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -57.56 -46.2 84.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.120000000000005 110.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mp -59.21 -61.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 73.219999999999999 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.31 -53.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 109.981 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 2.6 mt -56.62 -47.13 80.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' ILE . 41.6 tp10 -64.21 -15.15 59.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.120000000000005 110.286 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.73 17.26 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 75.430000000000007 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 70' ' ' ALA . 2.8 mt -138.31 54.49 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.329999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 9.1 mmmm -67.88 -9.86 48.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 -23.41 36.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 72.310000000000002 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.21 139.27 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 64.230000000000004 109.316 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.408 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . . . -91.46 -18.35 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 71.530000000000001 109.3 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -77.52 -17.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -69.11 -64.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 63.25 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -56.75 -35.9 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 75.25 110.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.7 -31.11 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.150000000000006 109.333 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.452 HG13 ' CE3' ' A' ' 77' ' ' TRP . 10.3 t -76.59 -5.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 72.439999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -86.05 -37.76 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 72.129999999999995 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.481 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 6.9 ptt-85 -98.49 -8.09 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 110.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 tp-100 -88.04 -43.64 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 73.409999999999997 110.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.776 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 20.5 m-90 -109.6 -58.23 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 108.018 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -59.49 -32.97 70.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 109.326 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.44 35.72 90.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.448 1.093 . . . . 62.020000000000003 111.032 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.475 HG23 ' CB ' ' A' ' 74' ' ' ALA . 15.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 75.340000000000003 109.316 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.291 -0.263 . . . . 74.299999999999997 110.291 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HB2' ' HD2' ' A' ' 90' ' ' PRO . 18.4 Cg_endo -74.97 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 73.329999999999998 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' PRO . 18.3 Cg_endo -75.0 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 70.310000000000002 111.007 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.62 25.03 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.313 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -44.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 75.340000000000003 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' VAL . 2.7 m -106.42 -38.87 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 74.010000000000005 110.016 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.589 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.4 t90 -46.05 -48.68 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 74.420000000000002 107.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.472 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -58.73 -36.84 74.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 63.140000000000001 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' SER . 30.6 t -65.83 -18.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 73.540000000000006 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -91.09 -32.84 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.585 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 43.1 mtt180 -84.02 -20.15 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 3.0 tp -85.05 -50.27 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 7.5 m-85 -64.74 -27.47 68.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.6 t60 -60.19 -18.86 51.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 72.409999999999997 109.621 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 7.7 mt -97.25 -24.7 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.265 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.471 ' CD2' ' OE1' ' A' ' 106' ' ' GLU . 48.2 mt -71.52 -23.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 72.019999999999996 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 65.439999999999998 109.279 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.19 -18.76 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 72.030000000000001 110.351 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 108' ' ' LEU . 2.2 pt-20 -106.84 -8.64 16.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 76.64 40.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 71.030000000000001 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.504 ' CD1' ' OE2' ' A' ' 106' ' ' GLU . 9.2 mt -95.84 -39.51 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 75.450000000000003 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -140.64 147.71 50.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 52.299999999999997 108.267 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.6 Cg_endo -74.96 146.4 32.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 75.129999999999995 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -46.18 -25.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 109.273 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.44 ' O ' ' CG2' ' A' ' 116' ' ' VAL . 70.1 m -51.63 -45.37 63.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 72.140000000000001 110.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.23 -31.98 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.551 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 3.0 ttp180 -66.52 -30.35 70.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 75.219999999999999 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.3 OUTLIER -84.0 -47.18 11.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.099999999999994 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.453 ' N ' ' OD2' ' A' ' 115' ' ' ASP . 22.1 t -57.7 -36.96 56.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.450000000000003 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.58 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.150000000000006 109.314 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.57 ' CD1' ' HB1' ' A' ' 140' ' ' ALA . 2.9 m-85 -65.95 -45.95 79.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 115' ' ' ASP . 85.8 mt-30 -51.0 -53.32 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 72.230000000000004 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -17.16 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 74.129999999999995 110.31 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.78 -19.01 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 29.7 t -85.81 -25.37 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.319 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -87.46 -29.15 21.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 75.209999999999994 110.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.9 t -69.62 -45.69 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 110.42 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 94' ' ' TRP . 5.4 mp -65.79 -43.42 88.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 109.318 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 133' ' ' LEU . 15.8 m -64.19 -46.19 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.530000000000001 109.949 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 m -54.08 -54.52 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 73.530000000000001 110.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.419 ' NE ' HD13 ' A' ' 125' ' ' LEU . 7.9 ptt180 -81.52 -4.46 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.519999999999996 110.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.4 t0 45.22 57.74 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.549999999999997 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.04 -174.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 109.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.27 0.55 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 75.239999999999995 109.611 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.14 10.08 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 75.510000000000005 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 126' ' ' SER . 2.9 tm? -61.51 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.23 28.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 63.229999999999997 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.61 -30.78 69.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 73.340000000000003 110.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.589 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 47.6 tp -80.43 -38.14 30.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.239999999999995 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.482 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 42.7 mm-40 -62.35 -15.28 47.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.18 -3.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -99.24 -46.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 70.319999999999993 110.336 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.57 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -68.4 -10.7 56.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 71.230000000000004 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 55.7 mtm180 -97.5 -59.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -22.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 15.1 mmp_? -86.13 -78.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 72.109999999999999 110.29 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.8 -55.64 16.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.25 108.273 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.0 68.88 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.593 ' CH2' ' CG1' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -149.28 -169.88 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.997 -1.112 . . . . 75.439999999999998 107.997 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -113.59 61.2 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 63.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.593 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.7 tt -72.22 -18.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.335 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -61.47 -15.0 33.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 75.5 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 71.519999999999996 110.988 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 51.030000000000001 111.025 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.96 -170.48 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 71.5 111.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.489 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 1.2 m -170.06 -177.82 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.409999999999997 109.969 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -69.81 -53.99 10.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.233 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -75.0 -30.63 6.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 72.349999999999994 111.005 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -47.14 -46.21 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 52.240000000000002 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' A' ' 99' ' ' LEU . . . -60.53 -31.73 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 109.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.813 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -70.25 -36.48 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.019999999999996 110.985 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.23 -52.55 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 75.430000000000007 109.251 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.87 -24.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.3 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -51.93 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 75.450000000000003 109.343 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -74.15 -14.46 80.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.35 3.29 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 72.209999999999994 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -83.06 -70.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 109.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 170.91 136.8 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 44.020000000000003 111.016 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 51.2 tp60 -37.41 -60.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 71.120000000000005 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.03 -35.18 79.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 62.409999999999997 109.312 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.6 tptt -49.1 -30.64 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.6 -56.29 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 109.274 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.4 mm? -50.01 -52.43 34.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -51.79 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 110.98 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 62.7 mt -39.65 -46.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 74.140000000000001 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.08 -52.72 57.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 75.150000000000006 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.7 m-70 -61.38 -14.25 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -86.33 -49.92 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 72.200000000000003 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.24 -13.69 40.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 74.030000000000001 109.297 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 29.7 mmtt -39.4 -33.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -123.52 109.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 110.409 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.8 38.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 75.200000000000003 111.037 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -91.36 160.51 36.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 75.230000000000004 110.323 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 97.51 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 75.530000000000001 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.92 9.38 32.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.39 126.85 36.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 75.030000000000001 108.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.4 2.69 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 75.349999999999994 110.281 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.507 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.63 -25.14 7.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 73.540000000000006 111.018 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 7.3 tt0 -83.6 -55.59 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 74.319999999999993 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 5.8 t0 -57.28 -40.52 77.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 62.130000000000003 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.08 -48.93 78.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 71.510000000000005 109.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 99' ' ' LEU . 55.0 tp -60.13 -31.98 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 72.329999999999998 109.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.1 t-160 -60.1 -23.71 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 109.63 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -82.96 -20.65 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 73.319999999999993 109.253 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.7 mtp -97.38 -11.1 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 110.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' LYS . 44.5 t -87.98 -58.11 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.5 109.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -40.82 -33.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 75.299999999999997 109.297 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 1.4 mt -61.31 -52.77 63.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 75.510000000000005 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.468 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.7 mmmt -51.93 -21.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 73.239999999999995 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.476 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 2.7 mt -88.96 -43.13 11.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 74.140000000000001 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.33 21.58 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 62.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.85 79.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 75.129999999999995 110.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.52 -19.06 63.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 74.239999999999995 110.357 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -39.69 -29.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 64.329999999999998 110.389 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm-40 -93.94 -43.46 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 110.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.22 -36.54 3.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -68.37 -55.8 10.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 75.230000000000004 110.334 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.1 mp -47.68 -46.92 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.450000000000003 109.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 62.210000000000001 109.976 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 12.6 mt -55.24 -42.18 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.42 -16.03 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 110.347 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.25 5.62 22.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 109.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 7.7 mt -122.04 49.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 72.120000000000005 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -54.02 -22.92 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 72.140000000000001 109.279 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.38 28.38 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 73.430000000000007 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.13 132.01 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.150000000000006 109.268 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.88 -24.29 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 70.400000000000006 109.298 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 6.1 t -66.48 -14.73 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.54 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 55.32 109.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -66.35 -22.9 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 75.019999999999996 110.264 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.08 -41.97 12.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.109999999999999 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 25.0 t -69.45 -8.84 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 73.230000000000004 109.32 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -81.13 -39.43 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 109.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -98.39 -6.02 31.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 72.549999999999997 110.291 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.9 OUTLIER -84.34 -44.47 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 110.29 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 27.0 m-90 -116.49 -62.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 74.209999999999994 107.97 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -41.3 -29.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.37 20.49 69.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 65.129999999999995 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.44 ' O ' ' O ' ' A' ' 79' ' ' GLY . 2.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 72.239999999999995 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.3 -0.259 . . . . 64.530000000000001 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 63.049999999999997 111.041 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.52 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 74.099999999999994 111.029 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -119.51 25.27 10.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 74.010000000000005 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -45.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -42.23 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 54.229999999999997 109.98 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.589 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 4.3 t90 -45.97 -56.38 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 75.200000000000003 108.002 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.23 -42.41 20.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.140000000000001 109.3 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 7' ' ' SER . 14.8 t -62.73 -39.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 71.450000000000003 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.36 68.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 64.239999999999995 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 18.2 mtt180 -85.96 -23.64 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.519999999999996 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.45 HD22 ' CB ' ' A' ' 11' ' ' ALA . 1.3 tp -74.53 -45.94 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.109999999999999 109.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 5.0 m-85 -67.54 -33.84 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 111.024 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -49.71 -27.69 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.572 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.7 mt -90.72 -35.86 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 74.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.69 -23.15 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 109.325 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.02 -12.75 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.239999999999995 109.333 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -99.87 -19.55 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.31 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.87 -18.58 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 72.409999999999997 110.262 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt 77.09 44.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 63.140000000000001 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.457 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 21.8 mt -112.23 -37.85 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 75.010000000000005 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.9 p -136.29 154.97 77.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 108.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.99 30.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 72.140000000000001 110.979 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.23 51.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.310000000000002 109.31 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -62.99 -53.49 53.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.026 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -52.03 -37.42 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.349999999999994 109.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -62.43 -30.24 71.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.219999999999999 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -81.86 -48.53 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.295 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.464 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 25.1 t -56.76 -37.48 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.284 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.86 81.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.3 m-85 -62.13 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.319999999999993 111.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -54.12 -63.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.530000000000001 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.14 -19.16 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.95 -30.66 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 63.219999999999999 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.465 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 49.1 t -73.53 -27.07 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.120000000000005 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.7 mmt180 -75.64 -67.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 73.040000000000006 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -38.43 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 50.439999999999998 110.411 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.576 HD22 ' CE3' ' A' ' 94' ' ' TRP . 4.8 mp -84.42 -65.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 75.049999999999997 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 12.9 t -37.46 -46.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 62.530000000000001 109.969 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -54.69 -59.15 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.016 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.516 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -80.65 5.38 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.030000000000001 110.322 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 125' ' ' LEU . 28.8 t0 45.22 38.02 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 61.310000000000002 109.241 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.516 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 16.5 t0 -40.65 153.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 109.321 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -74.42 -6.52 48.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.219999999999999 109.597 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.39 -0.01 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -49.66 -66.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -52.84 -32.35 40.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 54.240000000000002 111.0 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.96 -34.88 79.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 72.510000000000005 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.589 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 65.3 tp -71.92 -38.93 69.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 71.120000000000005 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 41.5 mm-40 -61.62 -18.39 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 63.100000000000001 110.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.19 -14.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.328 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.06 -53.98 4.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 110.272 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -60.85 -14.98 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 53.210000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.0 mtm180 -90.9 -62.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.010000000000005 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.31 -22.26 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 71.329999999999998 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 143' ' ' ARG . 11.9 mmp_? -84.35 -78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 110.313 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.26 -55.16 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 108.312 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.17 68.28 0.83 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 111.006 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.599 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.78 -169.94 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.003 -1.11 . . . . 72.540000000000006 108.003 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.71 61.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 75.439999999999998 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.599 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 5.3 tt -70.12 -37.0 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.519999999999996 109.328 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -41.28 -29.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 62.200000000000003 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 110.987 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.964 -0.854 . . . . 74.040000000000006 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 74.400000000000006 110.967 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.492 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 2.0 t 179.95 175.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -67.28 -52.67 28.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 74.049999999999997 109.328 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -29.4 8.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 75.329999999999998 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -46.89 -44.49 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 73.019999999999996 110.061 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -32.28 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 65.230000000000004 109.283 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.811 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -75.94 -32.76 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.349999999999994 110.986 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.34 -34.47 74.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.94 -29.67 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 72.319999999999993 109.331 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' HD22 ' A' ' 43' ' ' LEU . 1.7 mt -58.41 -53.18 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.13 -5.24 52.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 64.549999999999997 110.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.62 17.96 19.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.731 . . . . 52.109999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.72 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.26 135.08 1.77 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 111.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' GLY . 42.0 tp60 -36.51 -64.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 110.312 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -38.6 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.482 ' NZ ' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.12 -30.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 74.400000000000006 109.283 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.16 -65.02 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 75.150000000000006 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 68.3 mt -42.74 -56.44 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.010000000000005 109.278 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' NZ ' ' A' ' 22' ' ' LYS . 1.7 t80 -52.13 -59.2 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 72.099999999999994 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.5 ' CD2' ' OE1' ' A' ' 106' ' ' GLU . 10.4 mt -40.17 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 109.307 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -46.22 -62.52 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.277 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 86.9 m-70 -41.51 -28.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 109.625 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.4 tttp -82.33 -53.99 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.310000000000002 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 40' ' ' GLN . 6.3 mp -56.54 -18.94 13.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 73.109999999999999 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.0 mmtt -35.75 -37.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.120000000000005 109.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -109.76 112.86 58.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 72.340000000000003 110.356 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.06 41.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 72.140000000000001 111.018 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.1 mmm-85 -100.52 162.44 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.140000000000001 110.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.526 1.803 . . . . 74.030000000000001 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.99 29.18 9.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.142 . . . . 72.329999999999998 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.79 127.73 48.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 75.239999999999995 108.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CD ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.05 1.67 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 75.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 -26.84 7.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 63.32 111.002 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.489 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 15.4 tt0 -79.3 -55.31 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 63.200000000000003 110.252 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 7.4 t0 -54.9 -37.63 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 62.450000000000003 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.77 -44.22 97.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.519999999999996 109.327 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -65.63 -34.11 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 71.299999999999997 109.273 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.3 -22.25 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 75.319999999999993 109.558 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.453 ' CB ' HD22 ' A' ' 61' ' ' LEU . . . -90.59 -20.06 23.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 54.3 mtp -97.52 -7.82 30.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 27' ' ' LYS . 19.8 t -92.08 -55.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 109.32 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -40.1 -42.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.150000000000006 109.284 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.8 mt -53.01 -55.65 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.0 mmmp? -44.37 -27.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.419 ' CD2' HD23 ' A' ' 24' ' ' LEU . 5.8 mt -85.8 -47.59 9.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 64.239999999999995 109.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.25 11.65 8.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.6 82.41 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 73.540000000000006 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.59 -19.04 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.430000000000007 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -38.44 -36.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 74.099999999999994 110.408 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.72 -44.38 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 110.321 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.42 -36.92 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 75.450000000000003 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -63.63 -48.12 78.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 71.019999999999996 110.327 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.29 -46.22 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -46.66 87.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.099999999999994 110.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD22 ' CB ' ' A' ' 45' ' ' ALA . 10.3 mt -57.56 -38.82 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 11.2 tt0 -71.24 -18.06 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.1 -2.31 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.219999999999999 109.301 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 1.7 mt -123.14 51.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 72.150000000000006 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 32.2 mtmt -62.14 -15.38 45.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -25.46 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 74.510000000000005 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.83 133.23 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 75.549999999999997 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.08 -2.1 57.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' VAL . 73.8 t -84.51 -39.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 70.120000000000005 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.56 -56.88 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 61.420000000000002 109.288 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -53.51 -52.99 57.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 74.340000000000003 110.279 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 1.3 tm? -63.01 -23.34 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 63.210000000000001 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 42' ' ' LEU . 5.8 t -92.53 -3.86 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 64.219999999999999 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -87.64 -37.72 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 62.329999999999998 109.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 4.2 ptt-85 -98.79 -6.25 29.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -89.49 -46.83 8.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 110.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.811 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.5 m-90 -106.03 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.099999999999994 108.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.18 -50.97 63.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 75.329999999999998 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 95.46 25.68 13.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 73.239999999999995 110.969 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 74' ' ' ALA . 98.4 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 61.409999999999997 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.267 -0.272 . . . . 71.530000000000001 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HG2' ' CG2' ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 74.230000000000004 111.051 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 74.140000000000001 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -120.54 24.64 10.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 73.040000000000006 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -42.92 -43.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 74.319999999999993 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.5 t -103.05 -38.5 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 73.209999999999994 110.017 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.2 t90 -46.05 -57.21 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 71.540000000000006 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.51 -32.29 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 109.274 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 7' ' ' SER . 5.8 t -76.6 -32.31 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.120000000000005 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.511 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 73.049999999999997 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.563 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 9.2 mtt180 -75.13 -26.5 59.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 110.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 6.9 tt -73.65 -54.93 6.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.6 -23.07 66.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.099999999999994 110.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -65.04 -21.86 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 73.150000000000006 109.58 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -96.85 -26.13 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.519999999999996 109.298 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.429 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 91.0 mt -70.65 -18.06 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 72.140000000000001 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . 0.477 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -83.72 -2.36 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 72.519999999999996 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -99.58 -16.85 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.329999999999998 110.261 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.502 ' OE1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 pt-20 -106.94 -1.23 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.269 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt 70.43 30.22 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 75.129999999999995 109.326 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 18.9 mt -88.43 -27.93 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 113' ' ' LEU . 4.5 t -160.3 138.54 7.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 71.219999999999999 108.278 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -74.98 145.33 31.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 73.319999999999993 111.023 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . 0.449 ' HB1' ' CZ ' ' A' ' 114' ' ' ARG . . . -47.63 -24.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 54.32 109.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 110' ' ' PRO . 1.2 m -37.81 -45.97 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 64.129999999999995 110.044 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' ASP . 6.9 mp -76.33 -52.27 10.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 74.430000000000007 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.477 ' NH2' ' CB ' ' A' ' 104' ' ' ALA . 12.3 ttm180 -38.14 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 73.040000000000006 110.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.476 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 0.5 OUTLIER -75.17 -63.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.311 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.97 -40.94 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.530000000000001 109.281 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.26 13.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.567 ' CD1' ' HB2' ' A' ' 140' ' ' ALA . 2.1 m-85 -48.52 -40.13 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 110.972 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -57.74 -45.95 85.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 73.019999999999996 110.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.73 -10.53 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 75.129999999999995 110.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -96.97 -29.91 13.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -82.49 -30.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 63.439999999999998 109.338 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.415 ' N ' HG21 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -74.61 -33.05 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 72.239999999999995 110.343 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -77.8 -36.73 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 73.439999999999998 110.373 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.569 HD22 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -80.12 -34.56 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 72.019999999999996 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.7 t -70.32 -40.72 74.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 65.510000000000005 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.4 p -60.73 -43.5 97.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 73.400000000000006 110.01 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.5 ptt85 -95.61 1.81 53.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 110.278 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.2 t0 44.17 48.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.530000000000001 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.49 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.1 t0 -50.08 177.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -93.79 -0.37 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.120000000000005 109.519 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.49 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -116.04 -1.43 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 75.230000000000004 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.516 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.4 tm? -48.86 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 70.129999999999995 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.516 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -48.84 -33.5 13.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 74.549999999999997 111.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -33.32 73.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 75.319999999999993 110.302 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 58.9 tp -72.31 -41.09 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 73.209999999999994 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 38.8 mm-40 -63.18 -14.59 50.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 72.010000000000005 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.58 -4.35 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 73.109999999999999 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 7.6 tt0 -99.4 -45.49 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 71.049999999999997 110.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.567 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.21 -13.01 62.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 145' ' ' GLY . 48.5 mtm180 -94.28 -60.15 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -21.85 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.219999999999999 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.9 mmp_? -84.99 -77.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.87 -55.54 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 108.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.27 67.73 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 73.310000000000002 111.026 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.586 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -149.15 -170.7 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.003 -1.11 . . . . 74.340000000000003 108.003 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.39 61.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.409999999999997 109.335 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.581 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 4.8 tt -70.2 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -80.63 2.51 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 62.229999999999997 109.282 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 42.32 110.987 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.015 -0.834 . . . . 52.009999999999998 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.541 1.811 . . . . 73.349999999999994 110.986 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -179.94 172.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.040000000000006 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -67.58 -52.13 28.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.200000000000003 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.03 -26.33 10.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 71.549999999999997 111.012 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.439 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 20.3 m -49.8 -45.71 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 75.25 110.022 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -61.03 -31.85 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 64.319999999999993 109.263 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -76.28 -31.72 58.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.450000000000003 111.033 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.96 -40.34 72.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.474 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 10.8 mt -69.23 -19.27 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 72.049999999999997 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.48 -56.27 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.44 ' CA ' ' HE3' ' A' ' 50' ' ' LYS . . . -66.7 -8.81 49.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 75.219999999999999 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.91 16.45 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 75.219999999999999 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB2' ' CD2' ' A' ' 108' ' ' LEU . . . -101.07 -77.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 175.94 137.36 2.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 70.400000000000006 111.014 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -42.9 -48.27 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 73.25 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.2 -28.35 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 109.33 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -58.68 -26.37 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 64.209999999999994 109.256 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -87.39 -55.49 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.450000000000003 109.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 77.4 mt -47.64 -41.68 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 72.150000000000006 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -62.83 -75.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 75.349999999999994 111.005 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 50.8 mt -39.09 -38.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 71.319999999999993 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -54.42 -55.98 23.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.319999999999993 109.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 90.2 m-70 -64.45 -12.15 40.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 109.547 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.79 -39.44 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.439999999999998 109.343 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.1 mt -69.43 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.109999999999999 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 23.8 mmtt -39.06 -31.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.8 m -114.69 90.54 22.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 72.319999999999993 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.44 42.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.219999999999999 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.491 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -95.47 165.27 17.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 73.209999999999994 110.309 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.56 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 73.239999999999995 111.017 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.63 6.05 33.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.62 124.69 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.257 -1.016 . . . . 71.219999999999999 108.257 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -122.0 -4.71 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 75.219999999999999 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.94 -33.6 3.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 55.409999999999997 111.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 1.1 tt0 -72.96 -62.23 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 75.409999999999997 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 4.7 t0 -54.57 -41.76 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 72.019999999999996 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.85 -55.49 29.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 65.400000000000006 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 99' ' ' LEU . 4.0 tp -56.22 -31.57 63.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 73.25 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.7 t-160 -56.94 -28.28 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 73.430000000000007 109.595 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -84.93 -23.02 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 63.420000000000002 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 48.6 mtp -91.19 -8.61 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.977 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -93.88 -53.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.22 -45.43 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 73.519999999999996 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.4 mt -51.86 -57.86 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.25 109.319 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE3' ' CA ' ' A' ' 16' ' ' GLY . 21.7 mmtt -42.81 -28.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 73.299999999999997 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -84.88 -45.56 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.94 18.25 6.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 74.010000000000005 110.995 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.76 81.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 71.400000000000006 110.293 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -71.8 -18.91 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 74.409999999999997 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.61 -38.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 70.340000000000003 110.38 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.2 mm-40 -82.48 -47.77 11.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.329999999999998 110.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -42.38 -40.14 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 73.010000000000005 109.317 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -62.07 -47.53 84.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 72.400000000000006 110.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -54.73 -59.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 72.010000000000005 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -45.78 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.053 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.25 -39.53 69.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 74.409999999999997 109.273 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.85 -18.18 59.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 72.310000000000002 110.275 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.87 -4.37 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 73.310000000000002 109.294 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -122.62 54.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 109.31 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 40.5 mtpt -55.06 -22.54 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 74.25 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.71 -59.31 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 62.310000000000002 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.24 120.31 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.311 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . . . -81.58 -1.54 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 109.283 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 2.9 t -93.96 -7.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 72.109999999999999 109.327 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -88.56 -19.33 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -89.27 -30.63 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.129999999999995 110.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 1.9 tm? -82.88 -37.41 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 73.299999999999997 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.496 ' HA ' ' HB3' ' A' ' 76' ' ' GLN . 3.8 t -70.66 -4.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 73.239999999999995 109.299 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -79.83 -63.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 65.239999999999995 109.304 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -78.41 -7.5 57.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 71.030000000000001 110.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp60 -84.97 -43.97 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 65.010000000000005 110.282 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.793 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.6 m-90 -117.08 -59.55 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 108.04 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -50.26 -24.94 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 65.299999999999997 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 67.88 26.43 73.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 53.43 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ALA . 97.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 75.230000000000004 109.359 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.289 -0.263 . . . . 75.519999999999996 110.289 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.99 165.4 31.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 61.329999999999998 110.999 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.09 7.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 74.219999999999999 110.994 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -116.94 25.71 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 73.409999999999997 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -79.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 75.25 109.306 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' TRP . 47.3 m -65.66 -49.28 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 60.039999999999999 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.598 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.6 t90 -40.63 -65.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.219999999999999 107.973 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASP . . . -41.47 -56.67 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 73.430000000000007 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 26.3 t -46.05 -39.53 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.068 . . . . 72.340000000000003 109.314 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -70.87 -36.95 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 63.049999999999997 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 38' ' ' GLN . 3.1 mtt180 -75.31 -19.22 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.049999999999997 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 46' ' ' MET . 1.7 tp -83.62 -41.29 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.354 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 5.1 m-85 -72.07 -37.23 69.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . 0.486 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 5.1 t60 -47.12 -25.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.150000000000006 109.578 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 5.7 mt -92.4 -34.17 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 74.349999999999994 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' TYR . 97.1 mt -64.96 -13.55 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.293 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.4 -11.83 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.439999999999998 110.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.89 -18.14 29.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 75.140000000000001 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 77.5 30.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.510000000000005 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 71.9 mt -99.94 -34.03 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.230000000000004 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.474 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.4 m -137.32 149.38 65.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 74.310000000000002 108.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 72.239999999999995 110.976 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.24 -6.14 46.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 109.276 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 78.3 p -65.24 -44.58 87.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.030000000000001 109.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.507 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -64.86 -36.93 85.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.1 ttp180 -53.45 -29.58 36.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.31 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 7.6 m-20 -81.13 -67.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -40.79 -37.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.322 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.98 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.566 ' CD1' ' HB1' ' A' ' 140' ' ' ALA . 1.6 m-85 -53.15 -42.86 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.200000000000003 110.965 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -53.78 -54.45 38.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 71.310000000000002 110.26 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.32 -18.61 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 64.340000000000003 110.269 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.416 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -100.06 -23.67 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.530000000000001 109.266 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.448 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 17.7 t -80.65 -24.65 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -90.08 -28.24 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.349999999999994 110.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' THR . . . . . 0.45 ' CG2' HD21 ' A' ' 125' ' ' LEU . 2.0 t -76.97 -36.74 56.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 73.019999999999996 110.433 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 132' ' ' ARG . 2.0 mm? -72.44 -38.17 68.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 72.129999999999995 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.3 m -75.17 -51.06 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 t -48.32 -37.27 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.340000000000003 109.979 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -97.4 -18.44 19.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.219999999999999 110.295 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.1 m-20 59.76 61.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 109.279 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 33.5 t0 -75.48 178.14 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 61.32 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -88.03 -8.42 55.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 65.230000000000004 109.621 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.3 OUTLIER -108.96 9.01 26.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -60.67 -67.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 109.287 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -52.87 -19.83 7.41 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 61.43 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.9 -31.04 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 73.340000000000003 110.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.598 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 31.7 tp -74.36 -37.64 63.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 44.8 mm-40 -63.17 -19.66 64.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 74.450000000000003 110.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.42 -2.99 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.049999999999997 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 5.8 tt0 -97.97 -46.21 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -69.41 -15.65 63.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 73.319999999999993 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 16.2 mtm180 -95.5 -61.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -49.79 -23.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 62.340000000000003 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.6 mmp_? -85.94 -79.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 110.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.88 -56.25 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 72.030000000000001 108.308 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.92 70.21 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.583 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -150.6 -170.68 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 75.540000000000006 107.984 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.0 62.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.569 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.4 tt -74.84 -28.03 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 70.239999999999995 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -62.33 -16.48 54.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 73.420000000000002 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 74.319999999999993 111.01 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.955 -0.858 . . . . 74.439999999999998 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.47 ' CD ' HD11 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.0 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 71.120000000000005 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 171.43 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 75.019999999999996 110.043 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER 175.99 -57.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -29.68 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 74.25 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -48.8 -47.78 41.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.430000000000007 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.0 93.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.420000000000002 109.323 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.409999999999997 110.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -63.84 -45.61 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 21.3 mt -68.24 -20.09 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 ' CG ' ' A' ' 50' ' ' LYS . 2.7 tp -75.33 -38.47 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.049999999999997 109.273 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' CE ' ' A' ' 50' ' ' LYS . . . -84.14 8.39 67.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 73.420000000000002 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.62 12.64 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 75.140000000000001 109.306 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -77.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 71.420000000000002 109.299 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 177.42 137.56 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 62.439999999999998 111.019 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . 33.2 tp60 -36.38 -64.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 62.509999999999998 110.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LEU . 3.3 t70 -62.1 -40.22 95.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 109.245 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.55 -31.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 63.149999999999999 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.92 -45.62 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 73.120000000000005 109.344 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.7 mm? -55.93 -53.46 56.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 75.040000000000006 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE2' HD22 ' A' ' 26' ' ' LEU . 1.3 t80 -50.9 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.019999999999996 111.018 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 25' ' ' TYR . 87.3 mt -47.46 -37.42 11.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.37 -43.98 92.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 74.299999999999997 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 93.3 m-70 -79.27 -7.0 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 74.540000000000006 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -87.36 -51.55 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 74.030000000000001 109.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.2 mt -52.57 -21.3 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.200000000000003 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 mmtp -37.66 -33.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 109.284 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.8 m -114.08 91.78 24.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.319999999999993 110.396 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.86 36.3 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 64.230000000000004 110.959 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -99.08 166.07 13.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 74.349999999999994 110.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.75 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.479 1.778 . . . . 75.219999999999999 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.87 11.53 39.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.0 p -69.84 127.07 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.26 -1.015 . . . . 73.219999999999999 108.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -125.3 -0.57 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 75.25 110.335 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.59 -29.01 4.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 72.400000000000006 110.992 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.415 ' N ' HD12 ' A' ' 102' ' ' LEU . 3.0 tt0 -78.82 -64.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 73.420000000000002 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 5.7 t0 -47.14 -42.51 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 65.239999999999995 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 69' ' ' VAL . 15.4 tp -62.47 -49.73 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.453 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 24.8 tp -59.2 -30.45 68.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 2.3 t-160 -65.27 -19.72 66.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 71.120000000000005 109.587 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' HD23 ' A' ' 61' ' ' LEU . . . -90.7 -20.72 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.485 ' SD ' ' CD1' ' A' ' 99' ' ' LEU . 66.7 mtp -94.02 -18.99 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 35.5 t -88.84 -45.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . 0.545 ' CD1' ' NE2' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -46.5 -35.14 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 73.129999999999995 109.285 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 77' ' ' TRP . 4.2 mp -67.98 -40.84 83.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 72.420000000000002 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' VAL . 1.8 mmmp? -51.75 -22.04 3.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.430000000000007 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -95.59 -50.87 4.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 72.140000000000001 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.27 30.35 1.92 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 73.409999999999997 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.545 ' NE2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -135.17 59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 74.400000000000006 110.308 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -51.34 -21.35 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 74.530000000000001 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.04 -31.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 54.340000000000003 110.409 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -89.64 -49.97 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 61.25 110.348 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -40.81 -37.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -64.99 -50.27 66.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 75.450000000000003 110.292 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.96 -42.02 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.23 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 74.430000000000007 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 45' ' ' ALA . 5.1 mt -53.83 -37.43 63.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 73.540000000000006 109.355 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.92 -32.45 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -8.65 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.040000000000006 109.333 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.43 45.76 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 109.301 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -15.27 29.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 72.549999999999997 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.0 -21.97 27.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.339 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.71 104.8 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.129999999999995 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -60.94 -15.03 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -76.03 -36.9 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 70.219999999999999 109.279 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -63.09 -70.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.119999999999997 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -48.72 -22.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.150000000000006 110.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -86.76 -33.26 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 109.251 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.586 HG12 ' CE3' ' A' ' 77' ' ' TRP . 9.9 t -78.67 -6.47 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.282 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.591 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -84.9 -36.35 21.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 60.240000000000002 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 7.6 ptt-85 -98.7 -3.63 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 75.200000000000003 110.244 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.553 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 5.2 tp-100 -93.04 -45.53 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.010000000000005 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.757 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.8 m-90 -106.78 -62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.450000000000003 108.004 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -44.58 -45.1 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.109999999999999 109.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 96.5 19.25 28.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 55.530000000000001 110.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.485 HG21 ' CB ' ' A' ' 74' ' ' ALA . 88.1 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 74.310000000000002 109.304 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.311 -0.255 . . . . 74.129999999999995 110.311 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.97 170.71 19.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 70.329999999999998 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.57 11.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 72.540000000000006 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -118.64 27.94 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.239999999999995 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.43 ' CG2' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.94 -40.88 84.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 74.129999999999995 109.291 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 1.4 m -95.16 -24.51 16.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 73.019999999999996 110.025 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.611 ' CH2' ' HB2' ' A' ' 136' ' ' LEU . 2.9 t90 -74.62 -70.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 108.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -39.76 -55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -56.12 -50.66 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 74.439999999999998 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -51.55 -33.1 30.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 31.4 mtt180 -81.56 -23.65 37.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 74.109999999999999 110.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 1.3 tt -73.15 -43.62 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.443 ' CD1' ' CB ' ' A' ' 113' ' ' LEU . 6.9 m-85 -69.57 -14.94 63.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 73.299999999999997 110.966 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.82 -22.8 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 63.229999999999997 109.592 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -95.15 -32.95 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.298 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.77 -28.84 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 73.409999999999997 109.314 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.11 -9.96 58.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 62.009999999999998 109.254 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -99.78 -20.68 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.420000000000002 110.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -89.05 -17.22 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.409999999999997 110.332 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp 76.02 30.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.54 -37.08 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 109.26 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.6 m -136.01 150.88 72.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 70.439999999999998 108.302 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 75.319999999999993 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.04 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.400000000000006 109.286 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.4 m -53.75 -47.12 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.004 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' CD ' ' A' ' 6' ' ' PRO . 2.0 mm? -62.42 -41.84 99.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.0 ttp180 -56.31 -33.81 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.010000000000005 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.519 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.8 OUTLIER -81.78 -66.03 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 109.268 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 38.6 t -40.2 -39.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.129999999999995 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -64.61 -57.86 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.4 m-85 -49.41 -46.57 47.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 111.043 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 121' ' ' ALA . 81.7 mt-30 -49.57 -66.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.329999999999998 110.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.71 -24.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 119' ' ' GLN . . . -78.44 -46.43 19.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 71.129999999999995 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.43 ' N ' HD21 ' A' ' 136' ' ' LEU . 1.5 m -61.52 -24.44 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.540000000000006 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.423 ' N ' HG21 ' A' ' 122' ' ' VAL . 30.6 mmt180 -75.89 -70.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 72.120000000000005 110.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -43.43 -27.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.514 HD12 ' CE3' ' A' ' 94' ' ' TRP . 6.2 mt -86.07 -46.54 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 63.130000000000003 109.267 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' SER . . . . . 0.409 ' N ' HD21 ' A' ' 133' ' ' LEU . 12.5 t -55.19 -51.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 110.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -54.01 42.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.409999999999997 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.439 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.01 4.75 16.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 75.209999999999994 110.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 m-20 40.25 36.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 73.129999999999995 109.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.439 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 12.5 t0 -40.16 157.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.89 3.3 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 62.140000000000001 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.87 -7.79 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.540000000000006 110.278 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -45.19 -69.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 74.140000000000001 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -49.43 -34.25 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.71 -30.6 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 71.319999999999993 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.611 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 39.9 tp -74.7 -40.39 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.450000000000003 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 45.9 mm-40 -63.01 -12.11 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 74.120000000000005 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -105.75 -21.25 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.519999999999996 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.05 -61.2 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 73.140000000000001 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.568 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -51.19 -21.78 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 35.0 mtm180 -85.35 -59.24 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.430000000000007 110.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -22.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.7 mmp_? -83.66 -79.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 75.25 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -65.0 -55.24 20.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.219999999999999 108.254 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.57 62.5 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.1 OUTLIER -142.03 -169.43 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 73.230000000000004 108.022 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.49 59.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 71.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.575 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 7.7 tt -61.99 -34.46 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.230000000000004 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -52.19 -21.98 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 109.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 110.956 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 63.030000000000001 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.94 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 74.329999999999998 111.034 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -170.14 179.51 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 63.229999999999997 109.967 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -68.78 -52.42 17.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 109.285 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 -32.94 4.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 74.329999999999998 111.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' SER . . . . . 0.422 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 73.8 m -44.15 -48.44 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 73.319999999999993 110.001 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.41 -41.14 88.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -63.54 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.956 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.71 -50.0 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.450000000000003 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.11 -18.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.329999999999998 109.329 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 46' ' ' MET . 1.9 tp -75.78 -33.59 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 72.540000000000006 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.71 8.44 75.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 72.519999999999996 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.5 17.15 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 72.349999999999994 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -88.1 -75.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 75.310000000000002 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 174.29 139.36 2.95 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 111.012 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' GLY . 12.7 tp60 -36.69 -64.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 72.400000000000006 110.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -58.7 -41.33 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.040000000000006 109.298 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 3.3 tptt -44.19 -33.28 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.19 -59.72 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.019999999999996 109.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HA ' ' CE ' ' A' ' 27' ' ' LYS . 48.5 mt -46.54 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 29' ' ' LYS . 5.8 t80 -35.91 -67.44 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 72.430000000000007 110.999 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 22' ' ' LYS . 15.3 mt -40.76 -56.41 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.230000000000004 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 24' ' ' LEU . 3.0 ttpt -46.44 -64.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 54.1 m-70 -63.51 -9.54 13.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 109.623 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -91.18 -26.68 18.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 71.540000000000006 109.32 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.3 mt -90.42 -20.9 22.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.420000000000002 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 18.4 mmtt -36.43 -33.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 64.349999999999994 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -105.64 107.67 59.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 110.35 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 135.79 19.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 64.530000000000001 111.022 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.0 165.16 33.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 74.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 63.450000000000003 110.986 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.44 12.77 37.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 72.030000000000001 111.029 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.92 115.2 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 70.430000000000007 108.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -9.65 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.219999999999999 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.87 -39.5 1.85 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.473 1.108 . . . . 75.430000000000007 110.963 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.531 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 9.4 tt0 -61.68 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 74.349999999999994 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 5.2 t0 -48.13 -40.29 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.030000000000001 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.78 -52.27 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 72.5 109.302 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 26.4 tp -58.5 -27.96 64.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.310000000000002 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.5 t-160 -62.09 -24.13 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 109.581 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -88.27 -18.3 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 72.5 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.6 mtp -98.71 -12.77 20.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 85.0 t -86.7 -57.84 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 63.350000000000001 109.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -41.27 -43.96 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 73.319999999999993 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 4.9 mt -53.27 -48.56 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.019999999999996 109.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' VAL . 1.7 mmmp? -48.1 -24.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 74.129999999999995 109.334 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . 0.417 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -96.46 -32.29 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 74.099999999999994 109.339 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 102.62 8.27 43.44 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.164 . . . . 71.239999999999995 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 51' ' ' LEU . 1.5 pt20 -111.31 70.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 74.340000000000003 110.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.3 pt-20 -66.33 -18.55 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.299999999999997 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.25 -34.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 74.530000000000001 110.394 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 -43.47 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 110.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -46.17 -36.67 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -66.4 -51.39 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 72.5 110.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.58 -52.26 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -48.91 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 110.056 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.466 HD13 ' CB ' ' A' ' 74' ' ' ALA . 18.0 mt -56.31 -40.23 74.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 74.340000000000003 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.72 -14.12 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.230000000000004 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.8 10.66 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 74.25 109.32 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 13.4 mt -122.94 52.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -55.55 -19.74 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -54.88 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 60.409999999999997 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -68.69 128.92 38.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.200000000000003 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.37 -13.14 35.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 70.409999999999997 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 33.3 t -76.03 -13.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -75.17 -54.0 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 55.409999999999997 109.294 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.94 -14.06 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.340000000000003 110.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -99.2 -30.84 12.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 109.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.57 HG12 ' CE3' ' A' ' 77' ' ' TRP . 15.1 t -82.35 -6.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 73.25 109.274 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -86.03 -36.07 19.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 75.400000000000006 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 6.3 ptt-85 -98.63 -6.4 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.2 tp-100 -89.99 -44.59 9.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 110.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.804 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.0 m-90 -107.58 -58.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 108.024 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -55.79 -45.36 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.040000000000006 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 78.34 40.95 18.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 79' ' ' GLY . 16.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 73.340000000000003 109.301 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.306 -0.257 . . . . 75.109999999999999 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.01 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 61.340000000000003 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.46 19.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 63.509999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -119.25 24.53 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 71.5 109.31 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -40.19 -40.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 71.299999999999997 109.291 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' VAL . 3.2 m -106.45 -40.83 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 109.994 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CE2' ' NH2' ' A' ' 98' ' ' ARG . 3.3 t90 -43.06 -54.73 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 74.319999999999993 108.017 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.6 -41.04 63.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 109.311 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' SER . 21.6 t -62.96 -35.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.319999999999993 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 118' ' ' TYR . . . -73.1 -29.84 63.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 73.030000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 15.9 mtt180 -86.4 -18.21 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 73.349999999999994 110.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 tt -83.95 -46.44 12.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.319999999999993 109.263 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -71.02 -7.06 43.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 75.019999999999996 110.987 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -79.51 -17.06 54.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.581 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.5 mt -97.11 -36.61 10.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.420000000000002 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.16 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 75.430000000000007 109.284 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.23 -10.71 60.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.329999999999998 109.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.58 -19.65 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.339 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 106' ' ' GLU . 0.7 OUTLIER -90.23 -17.22 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 71.530000000000001 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 77.37 54.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 73.030000000000001 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.87 -39.57 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.099999999999994 109.276 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.76 155.8 80.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.040000000000006 108.338 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.12 42.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 74.400000000000006 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -14.75 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 64.010000000000005 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.1 m -60.79 -46.04 92.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 75.349999999999994 109.991 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.92 -43.46 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.469 ' CD ' ' SG ' ' A' ' 144' ' ' CYS . 3.7 ttp180 -50.67 -34.91 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 110.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.463 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 4.2 m-20 -74.33 -68.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.6 t -40.05 -35.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.335 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.73 -57.32 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 109.328 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 140' ' ' ALA . 5.7 m-85 -51.37 -48.15 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.974 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 121' ' ' ALA . 78.7 mt-30 -45.31 -63.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 73.25 110.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -45.99 -25.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 73.219999999999999 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 118' ' ' TYR . . . -76.72 -46.77 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 74.530000000000001 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 136' ' ' LEU . 1.4 m -60.25 -24.39 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' LEU . 25.0 mmt180 -78.04 -69.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 74.219999999999999 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.019999999999996 110.389 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LEU . . . . . 0.576 HD23 ' CE3' ' A' ' 94' ' ' TRP . 4.7 mp -87.59 -58.91 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 70.329999999999998 109.318 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.2 t -41.22 -43.28 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 71.299999999999997 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 t -57.64 -57.51 12.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 73.099999999999994 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.444 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.95 5.88 14.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 75.329999999999998 110.276 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.1 m-20 43.09 36.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.140000000000001 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ASP . . . . . 0.444 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 11.7 t0 -41.47 153.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -76.75 -3.67 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 109.593 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.53 -1.25 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.400000000000006 110.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -52.83 -69.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -47.62 -34.48 10.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 71.150000000000006 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.55 -35.3 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 73.420000000000002 110.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' LEU . . . . . 0.541 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 5.4 tt -71.47 -40.04 70.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 54.219999999999999 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' GLN . . . . . 0.495 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 48.2 mm-40 -63.14 -11.11 17.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.219999999999999 110.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' ASP . . . . . 0.466 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 31.0 t0 -107.9 -7.43 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 141' ' ' ARG . 26.5 tt0 -100.51 -51.85 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 70.120000000000005 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' ALA . . . . . 0.511 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -47.29 -24.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 109.253 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.4 ptp180 -94.86 -44.52 7.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 72.420000000000002 110.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' ASN . . . . . 0.518 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 25.8 t-20 -65.36 -9.69 26.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' ARG . . . . . 0.503 ' CB ' ' OH ' ' A' ' 118' ' ' TYR . 15.2 mmp_? -103.92 -41.12 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 72.450000000000003 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -103.27 -56.48 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 72.540000000000006 108.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 107.58 70.27 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.41 1.069 . . . . 74.530000000000001 110.986 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' TRP . . . . . 0.592 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.5 OUTLIER -156.67 -172.69 4.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 75.019999999999996 108.006 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.29 63.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.310000000000002 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' ILE . . . . . 0.584 ' HB ' ' CZ2' ' A' ' 146' ' ' TRP . 5.3 tt -64.41 -23.49 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.450000000000003 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -73.78 -4.11 32.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 73.450000000000003 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 110.98 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.6 -0.518 . . . . 75.140000000000001 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -93.45 67.16 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 74.150000000000006 111.028 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.59 -55.7 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.030000000000001 109.315 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -171.79 123.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 73.209999999999994 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -126.41 149.29 49.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 73.120000000000005 110.383 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.3 -93.82 1.99 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 64.25 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.434 ' CD ' HD11 ' A' ' 113' ' ' LEU . 18.1 Cg_endo -74.95 -167.38 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 62.450000000000003 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.52 168.49 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.43 109.999 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -63.21 -54.79 42.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 73.140000000000001 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.11 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 75.340000000000003 111.037 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -55.53 -42.52 74.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 110.007 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.549 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -67.61 -24.35 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 63.240000000000002 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.84 -35.91 64.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 71.310000000000002 111.015 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 75.530000000000001 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.401 ' CD1' ' SG ' ' A' ' 109' ' ' CYS . 40.6 mt -71.48 -21.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 74.019999999999996 109.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.457 ' CD2' HG22 ' A' ' 47' ' ' VAL . 3.0 mt -71.07 -59.43 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 62.030000000000001 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.31 -6.43 53.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 61.119999999999997 110.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.34 6.38 44.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 73.340000000000003 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -90.76 -64.65 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 70.319999999999993 109.328 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.73 136.0 1.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 65.120000000000005 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 31.0 tp60 -35.88 -67.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 72.430000000000007 110.248 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -55.97 -38.0 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 72.219999999999999 109.327 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.5 tptt -48.53 -31.15 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 75.140000000000001 109.349 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.454 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -72.59 -50.0 28.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 71.319999999999993 109.299 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.0 mt -54.62 -46.43 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 74.530000000000001 109.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -55.64 -75.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.400000000000006 111.027 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 29.2 mt -40.79 -56.14 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.5 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.485 ' CE ' ' CD1' ' A' ' 51' ' ' LEU . 2.3 ttmt -43.6 -63.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.273 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 88.1 m-70 -52.58 -27.24 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.59 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.9 tttp -79.49 -28.79 41.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 74.409999999999997 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.562 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 4.1 mt -78.34 -25.46 46.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 73.120000000000005 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.4 mmtt -39.85 -33.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 65.549999999999997 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.401 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -113.66 94.72 33.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 75.209999999999994 110.366 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.89 42.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 72.530000000000001 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -97.65 158.73 32.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 75.319999999999993 110.282 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 75.430000000000007 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.87 24.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 111.021 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.48 127.12 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.998 . . . . 73.239999999999995 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.26 0.44 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 110.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.64 -28.79 6.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.474 ' CG ' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -79.2 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 75.219999999999999 110.338 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.471 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 9.3 t0 -44.66 -39.71 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 72.319999999999993 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 26.9 tp -66.23 -47.69 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.491 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 6.3 tp -61.06 -28.7 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 75.019999999999996 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.562 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 9.1 t-160 -57.79 -46.37 84.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 73.549999999999997 109.593 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.497 ' O ' ' CD2' ' A' ' 49' ' ' LEU . . . -71.58 -32.97 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.447 ' HE2' ' CD2' ' A' ' 12' ' ' PHE . 81.2 mtp -74.89 -12.93 60.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 74.239999999999995 110.993 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.491 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 75.2 t -95.25 -30.13 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 74.310000000000002 109.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.447 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 1.2 mm? -56.52 -51.37 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 109.313 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 45' ' ' ALA . 1.4 mm? -50.38 -52.36 37.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.310000000000002 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 7.1 mmmt -40.29 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 72.319999999999993 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.485 ' CD1' ' CE ' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -91.53 -44.06 9.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 73.510000000000005 109.264 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.52 13.87 7.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 74.150000000000006 111.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.91 84.02 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 73.299999999999997 110.318 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.1 pt-20 -76.47 -19.92 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 64.219999999999999 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.87 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 110.389 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -90.07 -45.77 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 71.450000000000003 110.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.499 ' O ' ' CD1' ' A' ' 61' ' ' LEU . . . -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 65.129999999999995 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.01 -44.84 91.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 75.450000000000003 110.343 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -64.23 -56.14 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 75.310000000000002 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.5 -53.02 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.150000000000006 110.001 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CD1' ' O ' ' A' ' 57' ' ' ALA . 6.1 mt -54.21 -48.65 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 75.099999999999994 109.299 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -63.08 -12.75 28.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 110.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.56 13.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 109.324 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD13 ' CB ' ' A' ' 70' ' ' ALA . 4.6 mt -129.49 47.74 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 72.329999999999998 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -47.65 -34.31 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.019999999999996 109.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.58 -57.22 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 72.109999999999999 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -69.42 122.28 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 74.340000000000003 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.4 -12.87 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 74.340000000000003 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG22 ' CB ' ' A' ' 91' ' ' ASP . 51.3 t -76.51 -17.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 63.25 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' CB ' HD13 ' A' ' 64' ' ' LEU . . . -82.51 -41.72 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 73.140000000000001 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -68.24 -18.81 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.484 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -93.72 -23.39 18.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.5 109.336 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.502 HG12 ' CE3' ' A' ' 77' ' ' TRP . 4.4 t -82.19 -6.3 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 73.209999999999994 109.253 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.26 -36.22 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 73.129999999999995 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.484 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 6.8 ptt-85 -98.8 -5.52 31.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.540000000000006 110.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.9 tp60 -89.09 -45.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 74.450000000000003 110.365 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.779 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.1 m-90 -109.51 -61.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 108.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -47.3 -24.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.340000000000003 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 74.32 19.21 79.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.6 t -42.41 165.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 64.349999999999994 109.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 6.5 t0 -80.83 45.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 61.439999999999998 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ASP . 94.0 p 33.59 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 109.971 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASP . 9.8 t -40.24 -27.62 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.099999999999994 110.372 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 82' ' ' SER . 3.2 mt-10 -84.51 -162.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 72.510000000000005 110.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.49 158.15 34.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 62.140000000000001 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 79.95 2.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 65.109999999999999 111.003 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.94 127.98 7.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.099999999999994 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.24 144.99 92.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 75.519999999999996 110.32 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.472 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -74.98 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 74.230000000000004 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.1 13.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 72.439999999999998 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.582 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 53.0 m-20 -101.08 26.21 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 74.219999999999999 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -40.95 -43.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 75.0 109.311 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.4 m -106.23 -35.3 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 71.099999999999994 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE3' ' OD1' ' A' ' 91' ' ' ASP . 3.3 t90 -46.32 -53.14 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.99 -1.115 . . . . 74.439999999999998 107.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -56.14 -33.31 65.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 72.200000000000003 109.299 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' SER . 16.5 t -72.34 -22.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.297 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.38 -34.13 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 73.340000000000003 109.315 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.437 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 16.3 mtt180 -80.06 -31.77 39.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 75.239999999999995 110.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CD1' HD11 ' A' ' 43' ' ' LEU . 1.8 tp -66.56 -44.8 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.549 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 8.0 m-85 -71.38 -23.12 61.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.412 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 4.4 t60 -60.13 -23.61 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 109.579 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -96.87 -26.66 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 74.349999999999994 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.427 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 90.8 mt -67.33 -28.94 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 74.019999999999996 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.519 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -76.13 -3.2 34.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 55.149999999999999 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.76 -20.14 16.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.099999999999994 110.296 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.488 ' OE1' ' CD2' ' A' ' 26' ' ' LEU . 2.2 pt-20 -106.19 7.49 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 63.039999999999999 110.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 58.47 50.94 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 75.010000000000005 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.407 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 19.0 mt -109.17 -30.69 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.329999999999998 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.401 ' SG ' ' CD1' ' A' ' 14' ' ' ILE . 0.1 OUTLIER -152.59 145.49 17.41 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 108.318 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 150.36 38.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 65.430000000000007 111.039 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.08 -25.59 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.25 109.263 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 43.7 m -45.63 -35.15 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.420000000000002 110.014 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.434 HD11 ' CD ' ' A' ' 6' ' ' PRO . 2.9 mm? -77.53 -51.57 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 75.019999999999996 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 15.0 ttm180 -50.42 -24.81 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 75.5 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.524 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.71 -69.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 75.120000000000005 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.403 ' C ' ' O ' ' A' ' 115' ' ' ASP . 91.6 t -39.84 -38.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 75.030000000000001 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.49 -56.1 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.327 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -49.81 -38.59 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 72.5 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.3 mt-30 -57.68 -57.19 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 71.430000000000007 110.352 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -53.43 -21.74 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.049999999999997 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.83 -23.7 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 71.510000000000005 109.297 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.509 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 3.4 t -82.56 -22.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 75.400000000000006 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -31.82 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 75.340000000000003 110.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.9 t -71.19 -40.51 71.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 71.329999999999998 110.407 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.562 HD11 ' CE3' ' A' ' 94' ' ' TRP . 90.1 mt -75.39 -36.79 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.42 ' N ' HD23 ' A' ' 133' ' ' LEU . 5.8 m -71.56 -37.63 71.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 73.530000000000001 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -64.8 -36.3 83.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 74.219999999999999 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.426 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 1.2 ptt85 -103.74 5.38 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.120000000000005 110.309 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 17.1 t0 40.46 49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.426 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 30.7 t0 -53.93 178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 70.140000000000001 109.311 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -90.33 -5.65 55.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 74.510000000000005 109.63 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.69 5.05 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 74.129999999999995 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -51.77 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 75.549999999999997 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.527 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -48.68 -34.32 14.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 65.540000000000006 110.966 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -34.76 78.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 72.540000000000006 110.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.581 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 49.3 tp -75.75 -35.92 60.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.509 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 38.9 mm-40 -66.47 -16.29 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.010000000000005 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -106.48 -18.57 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 71.329999999999998 109.307 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.74 -59.65 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 75.129999999999995 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.558 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -52.22 -20.97 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 75.329999999999998 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLY . 35.4 mtm180 -85.68 -59.89 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.019999999999996 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.67 -22.78 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.412 ' HA ' ' NE ' ' A' ' 143' ' ' ARG . 5.6 mmp_? -83.61 -78.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 110.327 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.36 -55.68 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 73.010000000000005 108.339 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.55 64.37 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 72.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -147.46 -169.06 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.997 -1.112 . . . . 75.310000000000002 107.997 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -117.51 60.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 64.540000000000006 109.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.58 HD11 ' CH2' ' A' ' 146' ' ' TRP . 6.7 tt -63.55 -37.38 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.259 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -43.01 -31.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.439999999999998 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.7 14.2 23.96 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 53.439999999999998 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 155' ' ' ILE . 3.2 m-20 -70.98 160.62 81.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 62.100000000000001 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 74.409999999999997 111.021 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . 0.463 ' CA ' HD13 ' A' ' 155' ' ' ILE . . . 92.8 -43.16 2.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 110.981 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.61 76.42 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 75.049999999999997 109.993 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.463 HD13 ' CA ' ' A' ' 153' ' ' GLY . 0.1 OUTLIER -131.79 131.79 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.308 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.219999999999999 110.301 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.8 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.63 -0.507 . . . . 74.140000000000001 109.63 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 mmt 61.18 50.15 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 72.439999999999998 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.88 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 74.109999999999999 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.92 172.94 8.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 73.030000000000001 108.264 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -120.57 12.67 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.71 -91.06 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 63.020000000000003 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.472 ' HB3' ' CD2' ' A' ' 113' ' ' LEU . 18.5 Cg_endo -75.0 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 74.299999999999997 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.51 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 6.8 p -179.9 157.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.999 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.8 OUTLIER -56.82 -49.44 93.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 61.32 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -21.95 15.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 61.130000000000003 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.51 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 7.0 t -63.73 -39.96 95.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 74.209999999999994 110.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.565 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -70.35 -26.87 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 55.229999999999997 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -75.13 -34.3 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 62.119999999999997 111.026 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.53 -39.83 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 74.200000000000003 109.343 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.7 mt -67.64 -21.17 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.29 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -68.59 -58.78 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.540000000000006 109.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -7.18 52.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 74.310000000000002 111.038 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.64 14.65 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 71.219999999999999 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.458 ' HB2' ' CD2' ' A' ' 108' ' ' LEU . . . -95.31 -76.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 71.340000000000003 109.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.3 136.9 2.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 71.319999999999993 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 18.7 tp60 -37.56 -58.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 64.549999999999997 110.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -37.87 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 19' ' ' GLY . 7.0 tptt -47.49 -31.45 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 75.239999999999995 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -74.1 -63.34 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 72.349999999999994 109.319 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 78.3 mt -41.55 -50.31 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 73.540000000000006 109.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.51 -53.32 59.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 72.420000000000002 111.015 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 19.1 mt -67.51 -10.91 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -86.63 -31.53 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 74.310000000000002 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 83.4 m-70 -103.2 -0.87 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 71.439999999999998 109.616 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -20.08 20.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.507 ' CD1' ' O ' ' A' ' 26' ' ' LEU . 3.3 mt -105.9 13.35 29.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 74.400000000000006 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 16.3 mmtt -67.54 -24.14 65.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 72.099999999999994 109.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -114.02 91.56 23.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 110.423 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.23 40.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 72.129999999999995 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.74 168.43 9.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 72.109999999999999 110.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.52 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 72.310000000000002 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.14 7.55 32.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 65.510000000000005 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 14.2 p -67.71 126.36 29.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 61.5 108.322 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.13 0.23 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.230000000000004 110.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -112.09 -28.37 3.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 72.040000000000006 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.539 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -77.48 -63.66 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 72.5 110.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 6.9 t0 -50.73 -42.44 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.281 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 HD23 ' CG1' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.19 -56.82 17.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 75.510000000000005 109.267 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.549 ' CD2' ' CG2' ' A' ' 47' ' ' VAL . 1.8 tt -55.46 -30.46 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.510000000000005 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 -54.47 -31.47 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 71.200000000000003 109.612 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.468 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -86.53 -22.57 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 71.010000000000005 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.566 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 65.7 mtp -84.73 -9.9 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 73.140000000000001 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.549 ' CG2' ' CD2' ' A' ' 43' ' ' LEU . 91.5 t -95.46 -55.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.400000000000006 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.411 ' C ' ' O ' ' A' ' 47' ' ' VAL . 1.4 mm? -39.96 -50.48 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.400000000000006 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' ' HB3' ' A' ' 77' ' ' TRP . 4.4 mp -49.51 -53.23 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 72.439999999999998 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 6.9 mmmt -40.4 -31.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 72.510000000000005 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mt -88.6 -44.24 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 54.409999999999997 109.261 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 115.42 16.02 7.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 71.109999999999999 110.999 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.09 70.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 75.530000000000001 110.367 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.02 -19.06 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 75.140000000000001 110.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.45 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 63.539999999999999 110.388 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -45.26 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 72.099999999999994 110.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.468 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.17 -40.21 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 73.239999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.57 -48.97 78.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 63.439999999999998 110.24 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -54.25 -60.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 73.319999999999993 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -39.22 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.099999999999994 110.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.493 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 11.2 mt -62.13 -38.18 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 75.109999999999999 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.03 -13.19 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 75.439999999999998 110.279 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 8.17 19.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 70' ' ' ALA . 3.9 mt -127.12 53.76 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 75.129999999999995 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -31.14 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 72.150000000000006 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -60.67 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 72.219999999999999 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.7 m-20 -53.95 113.08 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.219999999999999 109.288 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.459 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -81.9 -0.55 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.496 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 2.6 t -95.39 -14.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.549999999999997 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.493 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -76.34 -22.0 55.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 73.030000000000001 109.267 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.489 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -88.08 -34.5 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.120000000000005 110.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -80.38 -39.3 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 109.303 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.511 HG12 ' CE3' ' A' ' 77' ' ' TRP . 45.9 t -65.81 -10.98 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 75.329999999999998 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.519 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -80.98 -62.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 73.439999999999998 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' CZ ' ' O ' ' A' ' 71' ' ' ARG . 0.0 OUTLIER -72.29 -7.43 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.349999999999994 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.591 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.8 tp-100 -88.58 -40.63 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 71.239999999999995 110.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.776 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.0 m-90 -114.81 -59.09 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 108.048 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.519 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -47.58 -37.1 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.88 29.13 55.32 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 72.450000000000003 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.475 HG23 ' CB ' ' A' ' 75' ' ' ARG . 23.5 m -55.35 -167.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 75.120000000000005 109.304 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.7 t70 -95.18 23.69 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 62.340000000000003 109.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.454 ' CB ' ' HD3' ' A' ' 75' ' ' ARG . 89.1 p 37.52 48.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 44.420000000000002 109.96 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 p -41.14 -27.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 73.400000000000006 110.372 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' SER . 11.8 pt-20 -113.59 -171.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -73.83 138.44 76.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 61.549999999999997 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -14.16 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 65.420000000000002 111.015 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -38.96 154.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 65.25 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -79.71 138.81 54.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 110.26 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 173.92 13.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 74.530000000000001 110.995 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.81 21.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 71.230000000000004 111.05 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -110.28 27.07 9.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.420000000000002 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.42 HG21 ' N ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -44.78 -74.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 72.129999999999995 109.297 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.42 ' N ' HG21 ' A' ' 92' ' ' VAL . 3.5 m -72.96 -46.88 49.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 110.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.7 t90 -41.22 -66.2 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.349999999999994 107.968 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.426 ' CB ' ' O ' ' A' ' 91' ' ' ASP . . . -41.29 -55.13 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.120000000000005 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.473 HG22 ' CB ' ' A' ' 8' ' ' LEU . 29.8 t -47.97 -41.69 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 72.450000000000003 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.466 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -61.53 -47.06 87.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 70.120000000000005 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 91' ' ' ASP . 24.1 mtt180 -68.06 -24.16 65.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 74.310000000000002 110.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.419 HD23 ' CE ' ' A' ' 46' ' ' MET . 0.5 OUTLIER -74.49 -50.05 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 73.420000000000002 109.325 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.565 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.8 m-85 -67.95 -22.03 65.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 75.200000000000003 110.987 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.74 -23.05 62.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.6 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt -97.15 -31.07 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.019999999999996 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.423 ' CD2' HD11 ' A' ' 43' ' ' LEU . 87.2 mt -64.42 -14.97 59.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.6 -12.33 57.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 71.109999999999999 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.68 -20.35 16.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 110.319 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.56 -18.75 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.319999999999993 110.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 79.19 26.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 75.420000000000002 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.458 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 34.9 mt -96.13 -37.66 10.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.2 m -139.16 140.45 26.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 73.209999999999994 108.275 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.75 42.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 70.129999999999995 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -67.73 -10.66 54.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 73.420000000000002 109.295 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.2 m -55.15 -29.88 58.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 75.140000000000001 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.472 ' CD2' ' HB3' ' A' ' 6' ' ' PRO . 6.7 mp -86.11 -45.2 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.481 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -40.04 -29.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.254 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.548 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 14.5 m-20 -79.71 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 t -40.15 -44.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 71.310000000000002 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -60.31 -61.46 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.109999999999999 109.27 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.572 ' CD1' ' HB2' ' A' ' 140' ' ' ALA . 1.7 m-85 -45.51 -41.25 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 75.530000000000001 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 122' ' ' VAL . 76.5 mt-30 -55.95 -63.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 74.109999999999999 110.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.42 -28.32 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 110.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.24 -28.15 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.496 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 19.3 t -76.93 -8.55 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 74.530000000000001 109.273 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 126' ' ' SER . 37.1 mmt180 -89.8 -71.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 74.049999999999997 110.237 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.471 HG22 ' CD2' ' A' ' 125' ' ' LEU . 11.7 t -35.74 -39.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 75.430000000000007 110.405 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' CD2' HG22 ' A' ' 124' ' ' THR . 0.6 OUTLIER -66.73 -56.2 11.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 72.150000000000006 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ARG . 11.2 t -52.89 -47.95 67.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.012 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.8 t -52.37 -57.22 10.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.497 ' CZ ' ' OD2' ' A' ' 130' ' ' ASP . 12.6 ptt180 -79.91 3.68 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 73.420000000000002 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 54.1 t0 38.42 46.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 73.219999999999999 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.497 ' OD2' ' CZ ' ' A' ' 128' ' ' ARG . 1.6 t0 -58.29 175.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 74.239999999999995 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -92.74 -5.98 50.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 73.230000000000004 109.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -103.61 2.49 33.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.409999999999997 110.305 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.421 HD22 ' CB ' ' A' ' 125' ' ' LEU . 2.0 tm? -58.0 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 71.519999999999996 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.421 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -50.89 -28.9 18.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 63.25 111.056 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.55 -34.28 73.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 74.040000000000006 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.596 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 59.3 tp -72.86 -38.75 66.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.496 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 50.0 mm-40 -61.39 -17.8 55.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 54.039999999999999 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -106.46 -2.68 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 62.100000000000001 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 4.8 tt0 -98.62 -45.81 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.572 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.42 -14.87 63.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.019999999999996 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.483 ' O ' ' N ' ' A' ' 145' ' ' GLY . 24.0 mtm180 -95.83 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -50.59 -22.4 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 70.099999999999994 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.5 mmp_? -85.81 -79.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 74.230000000000004 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.582 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.2 -55.74 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.329999999999998 108.309 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.52 68.28 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 74.439999999999998 111.045 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.583 ' CH2' ' CG1' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -171.95 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.104 . . . . 74.230000000000004 108.018 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.44 61.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 75.120000000000005 109.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.583 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.5 tt -72.51 -34.85 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.140000000000001 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -47.28 -26.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 118.77 -11.15 12.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 71.120000000000005 111.0 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.15 147.06 7.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 75.349999999999994 109.274 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -10.41 21.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 71.25 110.991 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.31 34.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 110.954 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m 62.27 45.47 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 72.450000000000003 109.984 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 7.0 mt -54.44 144.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 71.340000000000003 109.303 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 110.283 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.602 -0.518 . . . . 74.150000000000006 109.602 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt -89.0 157.38 18.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 74.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.25 -30.98 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 64.519999999999996 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.75 139.46 37.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 72.219999999999999 108.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -106.35 13.04 29.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.040000000000006 110.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -87.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.143 . . . . 64.439999999999998 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.457 ' CG ' HD11 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 73.019999999999996 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.492 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 177.54 147.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.310000000000002 109.975 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.625 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 52.2 tp -55.45 -45.17 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.010000000000005 109.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -22.28 15.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 73.430000000000007 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -63.04 -40.79 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 75.200000000000003 109.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.437 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.31 -26.77 66.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 71.219999999999999 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.58 -38.14 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.540000000000006 111.033 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.51 -36.99 71.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 62.539999999999999 109.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.419 ' CD1' ' SG ' ' A' ' 109' ' ' CYS . 22.1 mt -68.55 -25.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 72.409999999999997 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD13 ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -62.84 -56.77 14.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 71.340000000000003 109.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.69 44.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 73.409999999999997 111.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.12 15.6 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 73.540000000000006 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.435 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -98.17 -73.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 70.349999999999994 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 174.49 136.7 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 64.310000000000002 110.976 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -40.62 -52.36 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 74.310000000000002 110.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.03 -31.89 66.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 109.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' GLY . 3.3 tptm -53.58 -27.98 29.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 74.430000000000007 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -78.91 -59.39 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.420000000000002 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD12 ' CD1' ' A' ' 51' ' ' LEU . 2.6 mm? -47.06 -57.84 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -47.99 -71.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 75.340000000000003 110.98 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 90.6 mt -38.58 -50.17 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.25 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.432 ' HZ3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -52.55 -53.06 51.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 72.129999999999995 109.285 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 98.3 m-70 -59.55 -16.01 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.239999999999995 109.59 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -85.62 -49.68 7.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 71.129999999999995 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.561 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.46 -13.59 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 72.519999999999996 109.291 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 30.6 mmtt -39.28 -41.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 65.230000000000004 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -101.22 108.76 56.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 72.25 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.57 18.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.551 1.816 . . . . 54.399999999999999 111.02 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -86.95 164.1 37.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 70.25 110.274 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 73.099999999999994 110.974 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 22.11 18.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 75.439999999999998 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -79.74 118.75 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.305 -0.998 . . . . 70.549999999999997 108.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -5.45 9.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 75.5 110.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.77 -34.32 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 52.520000000000003 110.998 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.418 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.0 tt0 -69.11 -61.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 75.329999999999998 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' OD2' ' CB ' ' A' ' 60' ' ' SER . 15.8 t0 -56.11 -42.52 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 72.430000000000007 109.325 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 95' ' ' ALA . 2.1 tt -58.54 -55.06 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.29 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.459 ' CD1' HD13 ' A' ' 15' ' ' LEU . 5.4 tp -58.08 -27.0 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.561 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -57.46 -40.5 78.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.631 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -76.52 -33.82 58.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 72.219999999999999 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.574 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 61.7 mtp -75.39 -13.99 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 75.230000000000004 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.459 HG23 ' CD2' ' A' ' 15' ' ' LEU . 70.4 t -95.31 -49.8 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 73.310000000000002 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.462 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -40.35 -51.86 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.275 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.441 ' O ' ' N ' ' A' ' 52' ' ' GLY . 8.3 mp -50.33 -53.5 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 65.530000000000001 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -41.67 -29.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.209999999999994 109.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.47 ' CD1' HD12 ' A' ' 24' ' ' LEU . 3.5 mt -88.94 -44.2 10.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 74.049999999999997 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.41 14.02 7.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 74.349999999999994 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -124.86 82.11 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 72.439999999999998 110.354 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.8 pt-20 -75.08 -17.41 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.35 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 110.383 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.27 -41.58 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 110.263 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.467 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -48.37 -36.29 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 74.25 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.39 -47.9 77.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -58.22 -50.02 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 73.200000000000003 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.17 -52.7 64.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.5 109.996 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 8.1 mt -58.64 -29.68 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 75.140000000000001 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -85.87 -14.46 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 74.120000000000005 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.57 14.3 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 70.299999999999997 109.302 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.467 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.2 mt -130.49 54.07 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 73.430000000000007 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 3.7 mppt? -54.15 -37.57 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 75.109999999999999 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.85 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 51.119999999999997 109.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' N ' ' OD2' ' A' ' 67' ' ' ASP . 0.1 OUTLIER -71.32 124.54 24.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 73.549999999999997 109.317 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.75 -14.14 40.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.465 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 47.0 t -76.05 -25.97 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 72.219999999999999 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.505 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -71.45 -45.75 61.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 64.230000000000004 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 4.4 mtm-85 -65.9 -27.75 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.540000000000006 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.495 ' CD2' ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -85.5 -34.22 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.369 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.587 HG11 ' CE3' ' A' ' 77' ' ' TRP . 7.8 t -67.76 -10.64 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.452 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -77.72 -60.45 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.495 ' CZ ' ' CD2' ' A' ' 72' ' ' LEU . 6.8 ptt85 -74.19 -8.09 54.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 64.129999999999995 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -88.51 -40.57 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.329999999999998 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.8 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.7 m-90 -116.81 -58.88 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 75.209999999999994 107.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.452 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.1 -21.02 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 63.530000000000001 109.268 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 59.21 31.66 69.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.414 HG22 ' N ' ' A' ' 75' ' ' ARG . 27.5 m -57.38 -168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.439999999999998 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' SER . 4.5 t0 -91.6 21.17 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 73.120000000000005 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.472 ' HB3' ' CD ' ' A' ' 75' ' ' ARG . 5.1 p 38.46 49.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 61.0 110.031 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 p -43.2 -26.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 71.129999999999995 110.375 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 82' ' ' SER . 1.6 mt-10 -87.8 -166.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 63.530000000000001 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' OD2' ' CD ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -96.93 144.13 27.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 73.200000000000003 109.299 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 83.49 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 74.150000000000006 110.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' CD ' ' OD2' ' A' ' 85' ' ' ASP . 6.5 pt-20 -151.8 132.56 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 74.019999999999996 110.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -60.42 134.37 91.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 110.301 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.473 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -75.01 170.34 20.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 74.230000000000004 111.031 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.64 20.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.478 1.778 . . . . 72.019999999999996 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.534 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 13.5 m-20 -116.8 27.15 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 74.200000000000003 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -39.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.306 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -101.92 -37.86 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 73.519999999999996 110.004 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.596 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.0 t90 -49.72 -58.2 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 74.129999999999995 107.988 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.47 ' HB3' ' CD1' ' A' ' 42' ' ' LEU . . . -47.67 -25.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 74.439999999999998 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 8' ' ' LEU . 2.7 t -84.35 -38.76 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 73.430000000000007 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -66.22 -30.65 71.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 73.299999999999997 109.344 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 9.2 mtt180 -85.06 -26.46 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.040000000000006 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.497 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 5.2 tt -74.4 -47.6 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 75.040000000000006 109.275 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.437 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -69.17 -18.16 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 111.009 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.557 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.4 t60 -66.95 -24.68 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 109.589 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.436 HD23 ' CD2' ' A' ' 101' ' ' HIS . 0.6 OUTLIER -94.53 -32.42 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.38 -22.67 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 73.510000000000005 109.313 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.408 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -74.88 -10.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 75.329999999999998 109.249 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -99.69 -20.16 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 73.340000000000003 110.288 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.48 -11.79 47.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 70.109999999999999 110.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt 69.56 27.46 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 72.219999999999999 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.435 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 91.6 mt -91.36 -39.24 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 75.030000000000001 109.346 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.419 ' SG ' ' CD1' ' A' ' 14' ' ' ILE . 1.2 m -138.97 153.35 71.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 74.25 108.29 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.31 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 70.219999999999999 110.995 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.59 59.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 73.040000000000006 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 p -56.18 -26.75 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 110.04 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.457 HD11 ' CG ' ' A' ' 6' ' ' PRO . 4.4 mm? -82.84 -50.72 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.531 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 10.7 ttm180 -50.36 -23.62 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 110.263 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.7 OUTLIER -81.26 -69.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 75.150000000000006 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.451 ' N ' ' OD2' ' A' ' 115' ' ' ASP . 75.7 t -42.2 -37.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.239999999999995 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -62.07 -61.31 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 73.340000000000003 109.261 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.568 ' CD1' ' HB2' ' A' ' 140' ' ' ALA . 1.9 m-85 -44.11 -36.93 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 111.02 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' VAL . 84.7 mt-30 -60.04 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 62.420000000000002 110.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 15.4 mt-10 -47.85 -23.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 74.450000000000003 110.293 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.08 -34.95 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.475 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 13.9 t -72.15 -10.12 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 75.109999999999999 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' SER . 14.3 mmt180 -89.19 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 74.409999999999997 110.278 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.47 ' CG2' HD21 ' A' ' 125' ' ' LEU . 7.5 t -40.55 -39.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 72.329999999999998 110.395 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.47 HD21 ' CG2' ' A' ' 124' ' ' THR . 0.8 OUTLIER -65.48 -47.11 77.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.030000000000001 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 123' ' ' ARG . 36.3 t -64.34 -60.37 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.4 t -39.14 -58.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.519999999999996 110.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -74.33 -23.29 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 71.040000000000006 110.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.4 t70 64.54 52.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.504 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -59.53 174.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 73.319999999999993 109.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -88.27 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.510000000000005 109.633 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.504 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -113.99 -2.1 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.296 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 126' ' ' SER . 2.0 tm? -47.0 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 72.430000000000007 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -52.88 -33.32 43.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 65.299999999999997 110.985 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.34 -29.96 70.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 74.129999999999995 110.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.596 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 46.8 tp -77.56 -37.28 51.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 73.25 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.475 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 59.5 mm-40 -62.36 -18.66 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 75.420000000000002 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -106.56 -2.44 21.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 74.030000000000001 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 3.3 tt0 -98.12 -45.28 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 110.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.568 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.28 -13.04 61.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 74.430000000000007 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.486 ' O ' ' N ' ' A' ' 145' ' ' GLY . 24.6 mtm180 -98.3 -58.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 74.420000000000002 110.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -50.66 -22.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.5 mmp_? -85.39 -78.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 74.010000000000005 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.579 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.73 -55.59 22.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 71.409999999999997 108.294 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.73 66.98 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 111.045 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.6 ' CZ3' ' OD1' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -147.78 -171.46 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 74.319999999999993 108.021 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -112.26 61.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 75.420000000000002 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.591 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.3 tt -72.78 -25.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 74.049999999999997 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.449 ' HB3' ' CZ ' ' A' ' 141' ' ' ARG . . . -58.49 -18.06 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 71.200000000000003 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 91.01 -3.54 80.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 110.967 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.25 164.33 0.62 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 74.409999999999997 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 72.340000000000003 110.995 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.77 -58.31 0.43 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 74.299999999999997 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t 173.8 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 73.340000000000003 109.974 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -147.69 133.48 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 72.219999999999999 109.306 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 73.200000000000003 110.333 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.591 -0.522 . . . . 73.219999999999999 109.591 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp -97.64 -13.2 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 75.239999999999995 111.034 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.97 122.09 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 75.129999999999995 109.306 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -108.49 40.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 72.109999999999999 108.313 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 50.5 m -152.6 149.46 28.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.395 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.75 78.3 1.4 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.572 1.17 . . . . 71.409999999999997 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.5 Cg_endo -74.93 -169.9 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 72.109999999999999 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.414 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -171.15 174.13 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.016 179.975 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.506 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -66.69 -52.31 34.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 74.299999999999997 109.281 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -27.37 10.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 73.310000000000002 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -50.42 -46.79 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 74.019999999999996 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.521 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -63.08 -34.53 77.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.099999999999994 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -68.76 -38.06 79.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 62.439999999999998 111.005 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -51.49 51.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 74.420000000000002 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.27 -14.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.099999999999994 109.309 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.428 HD21 ' CG ' ' A' ' 50' ' ' LYS . 2.3 tp -80.62 -40.4 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 72.239999999999995 109.289 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.454 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -80.82 -1.31 89.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 73.150000000000006 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.33 18.76 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 54.020000000000003 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.452 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -89.84 -75.24 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 63.240000000000002 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 179.02 136.28 2.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 62.299999999999997 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.1 tp60 -38.11 -55.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 74.340000000000003 110.249 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -69.07 -35.65 76.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 70.120000000000005 109.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HG2' ' CB ' ' A' ' 18' ' ' ALA . 9.4 tptt -47.22 -31.37 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 71.230000000000004 109.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.478 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.2 -59.15 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.239999999999995 109.331 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 96.7 mt -46.54 -58.2 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.540000000000006 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.4 t80 -45.73 -71.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 110.98 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 28.4 mt -39.69 -56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 74.230000000000004 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.456 ' O ' ' N ' ' A' ' 30' ' ' LEU . 1.3 ttmt -45.07 -63.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 74.129999999999995 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 97.6 m-70 -51.03 -22.7 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 63.009999999999998 109.612 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 2.5 tttp -85.27 -31.0 23.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 72.140000000000001 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.5 mt -80.95 -20.09 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 73.129999999999995 109.348 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.6 mmtt -38.4 -36.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 74.219999999999999 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.31 108.31 40.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 64.319999999999993 110.363 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.1 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.47 1.774 . . . . 71.010000000000005 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.85 159.96 56.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 75.409999999999997 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.08 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 65.150000000000006 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.18 28.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 110.986 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.07 124.68 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 73.299999999999997 108.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -1.16 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 75.450000000000003 110.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.8 -28.78 5.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 75.549999999999997 111.052 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.476 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.3 tt0 -76.59 -60.7 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 74.519999999999996 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 11.7 t0 -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 73.299999999999997 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.43 ' CD1' HG21 ' A' ' 73' ' ' VAL . 24.6 tp -66.04 -47.5 74.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 75.310000000000002 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.436 ' CD1' HD13 ' A' ' 99' ' ' LEU . 27.1 tp -61.57 -29.92 70.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 75.150000000000006 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 8.0 t-160 -62.05 -27.52 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 73.420000000000002 109.553 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -84.49 -17.44 39.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 64.549999999999997 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.561 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 35.7 mtp -98.66 -20.33 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 71.530000000000001 111.029 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG1' ' HB2' ' A' ' 27' ' ' LYS . 40.2 t -76.76 -48.42 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.310000000000002 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -47.13 -50.41 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 72.349999999999994 109.307 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.45 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.1 mt -47.06 -53.17 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 74.030000000000001 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.454 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 3.0 mmmt -40.38 -35.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 75.319999999999993 109.277 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.415 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 1.9 mt -83.49 -44.7 14.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 74.140000000000001 109.334 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.84 13.32 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 74.400000000000006 110.984 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.45 80.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 70.120000000000005 110.352 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -74.65 -17.51 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 110.347 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -38.23 -34.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 62.130000000000003 110.416 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.7 mp0 -89.21 -45.48 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 61.020000000000003 110.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.433 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.34 -39.2 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -61.08 -47.03 88.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 74.200000000000003 110.31 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -60.32 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.349999999999994 109.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 p -45.47 -50.16 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.25 110.007 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD21 ' CB ' ' A' ' 45' ' ' ALA . 7.3 mt -53.65 -49.77 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.21 -13.97 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 110.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -82.6 5.0 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.430000000000007 109.322 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 10.9 mt -118.7 47.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 75.349999999999994 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -49.88 -24.98 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 71.5 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.82 34.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.281 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.6 t0 -158.6 129.41 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.68 -31.16 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 55.130000000000003 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 10.7 t -55.16 -22.24 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.345 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -75.87 -45.18 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.275 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -12.68 60.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 110.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.477 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -97.38 -25.72 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.030000000000001 109.284 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.571 HG12 ' CE3' ' A' ' 77' ' ' TRP . 7.0 t -87.7 -6.46 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.329999999999998 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.541 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -85.18 -35.42 21.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.477 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 7.3 ptt-85 -98.3 -6.15 31.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.420000000000002 110.29 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 4.1 tp-100 -91.3 -44.14 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.79 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 23.8 m-90 -107.25 -58.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 74.430000000000007 107.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.541 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -56.65 -43.17 80.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 65.430000000000007 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.2 42.27 29.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 74.439999999999998 110.99 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 79' ' ' GLY . 25.9 m -61.16 -138.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 73.209999999999994 109.257 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.433 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.2 t70 -107.34 22.48 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.430000000000007 109.337 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.464 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 73.5 p 36.01 54.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 75.049999999999997 110.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 p -45.0 -24.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 73.510000000000005 110.407 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 18.1 mm-40 -90.38 -170.89 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.430000000000007 110.345 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.9 172.61 3.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 74.2 4.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 75.120000000000005 110.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.92 123.27 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 63.240000000000002 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.44 149.07 71.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 70.450000000000003 110.271 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.92 173.38 14.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 72.329999999999998 111.009 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.86 18.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 71.450000000000003 110.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.469 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 0.1 OUTLIER -108.64 27.16 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 64.129999999999995 109.244 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 93' ' ' SER . 0.2 OUTLIER -39.99 -69.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 73.439999999999998 109.321 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.421 ' N ' HG23 ' A' ' 92' ' ' VAL . 58.0 m -80.91 -43.92 19.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 74.409999999999997 110.049 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.584 ' CD2' ' CD1' ' A' ' 136' ' ' LEU . 3.2 t90 -41.74 -66.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 108.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 99' ' ' LEU . . . -41.43 -53.5 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 75.439999999999998 109.293 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.462 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 29.6 t -50.24 -43.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 73.340000000000003 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.84 -28.91 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 75.230000000000004 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.576 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 34.6 mtt180 -82.14 -21.33 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 95' ' ' ALA . 1.8 tp -80.26 -41.75 24.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 70.030000000000001 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.553 ' CD2' ' HB3' ' A' ' 113' ' ' LEU . 4.3 m-85 -70.25 -29.04 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 71.420000000000002 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -56.47 -19.3 14.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 55.420000000000002 109.549 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.461 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.2 mt -95.66 -25.17 16.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 73.310000000000002 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.455 ' CD2' HD12 ' A' ' 108' ' ' LEU . 75.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.267 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.94 -4.88 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.16 -19.73 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 74.310000000000002 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -107.63 -7.96 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 63.32 110.297 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 71.96 46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.308 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.455 HD12 ' CD2' ' A' ' 103' ' ' LEU . 9.8 mt -99.33 -27.64 13.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 73.510000000000005 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 27.2 p -154.51 151.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 75.219999999999999 108.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.423 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.3 Cg_endo -74.97 144.66 30.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 71.200000000000003 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.7 -26.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 63.329999999999998 109.275 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 110' ' ' PRO . 15.4 m -45.83 -45.86 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 75.420000000000002 110.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.553 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.3 OUTLIER -63.61 -48.01 79.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.264 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.3 ttp180 -50.38 -26.45 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.349999999999994 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 15.7 m-20 -86.05 -68.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 75.510000000000005 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' ASP . 72.6 t -39.34 -34.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.349999999999994 109.242 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -70.3 -53.66 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.030000000000001 109.245 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.77 -40.67 66.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 73.140000000000001 111.034 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 122' ' ' VAL . 83.1 mt-30 -52.2 -64.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 74.549999999999997 110.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -44.97 -27.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -79.04 -45.47 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 65.530000000000001 109.334 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.504 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 48.8 t -53.63 -20.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 72.129999999999995 109.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.4 mmt180 -89.4 -66.12 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 74.099999999999994 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -38.39 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 72.239999999999995 110.43 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.57 HD21 ' CE3' ' A' ' 94' ' ' TRP . 4.8 mp -87.69 -63.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 74.549999999999997 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 125' ' ' LEU . 10.0 t -38.16 -48.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 72.319999999999993 110.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -53.23 -58.75 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 72.310000000000002 110.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -79.76 4.87 15.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 75.439999999999998 110.264 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.6 m-20 42.36 36.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 73.450000000000003 109.241 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.451 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 15.4 t0 -41.79 154.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -74.32 -4.39 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.592 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.91 -0.07 18.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.450000000000003 110.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.519 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -51.6 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.200000000000003 109.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.519 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -50.93 -31.49 24.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 73.400000000000006 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.61 -31.97 73.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 73.439999999999998 110.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.584 ' CD1' ' CD2' ' A' ' 94' ' ' TRP . 7.4 tt -74.72 -47.27 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 74.109999999999999 109.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.504 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 33.8 mm-40 -52.01 -23.98 5.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -99.36 -22.65 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 75.329999999999998 109.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 1.5 tt0 -75.27 -61.64 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 75.439999999999998 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.557 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -52.21 -20.25 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.200000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 145' ' ' GLY . 7.8 mtm105 -86.97 -64.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 73.540000000000006 110.273 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -46.26 -26.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.6 mmp_? -81.22 -78.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 72.319999999999993 110.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -64.86 -56.72 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 65.219999999999999 108.34 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.52 63.68 0.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 61.240000000000002 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.592 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.33 -167.39 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 72.140000000000001 107.972 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -115.47 60.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.592 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.6 tt -69.11 -35.46 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -56.01 -20.29 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.010000000000005 109.294 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 100.72 -4.39 56.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 110.98 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.04 162.8 0.46 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 74.049999999999997 109.309 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.471 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.3 Cg_endo -75.03 -7.9 19.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 64.230000000000004 111.001 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.45 -16.19 46.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 52.200000000000003 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 61.4 m -90.66 22.16 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 75.230000000000004 109.977 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.471 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 1.2 pt -150.98 161.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 109.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 75.109999999999999 110.346 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.617 -0.512 . . . . 74.420000000000002 109.617 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mmm -121.11 -174.91 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.951 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.12 167.09 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 71.120000000000005 109.346 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 t -122.04 21.7 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.340000000000003 108.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 p -139.23 -179.35 5.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 75.150000000000006 110.384 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.22 -92.71 1.42 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 75.420000000000002 111.041 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.04 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 63.229999999999997 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.413 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.7 OUTLIER -171.79 167.97 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 63.509999999999998 109.986 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.517 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -62.36 -51.67 71.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 75.400000000000006 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.96 -25.26 12.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 64.140000000000001 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.0 t -51.55 -45.74 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 75.230000000000004 110.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.571 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -65.55 -26.97 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 74.329999999999998 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -73.68 -36.23 65.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.040000000000006 111.028 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.64 -37.45 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 74.230000000000004 109.246 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.483 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 17.7 mt -70.41 -19.52 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 109.303 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -69.24 -54.37 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 71.340000000000003 109.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.44 -7.32 60.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 70.420000000000002 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 13.54 34.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 63.009999999999998 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.447 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -95.93 -65.04 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 75.25 109.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 161.78 134.1 1.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 74.030000000000001 110.965 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 27.2 tp60 -37.55 -56.07 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 74.040000000000006 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -63.34 -40.7 98.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 72.049999999999997 109.315 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' GLY . 8.9 tptt -46.99 -31.95 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 75.010000000000005 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.474 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -73.47 -59.98 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 71.420000000000002 109.306 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 84.8 mt -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 74.450000000000003 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.6 t80 -54.65 -72.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 72.430000000000007 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.5 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 81.0 mt -39.12 -60.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 72.030000000000001 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.448 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.8 OUTLIER -43.05 -61.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 75.209999999999994 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 86.6 m-70 -52.19 -30.43 27.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.654 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LEU . 8.8 tttt -79.3 -26.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 74.5 109.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.564 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.1 mt -81.71 -24.32 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 65.329999999999998 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 19.5 mmtt -39.35 -31.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.400000000000006 109.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.42 ' N ' ' C ' ' A' ' 30' ' ' LEU . 0.9 OUTLIER -117.25 98.95 52.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 74.040000000000006 110.386 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 150.95 39.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 73.209999999999994 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.433 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -91.75 159.12 39.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 110.292 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.31 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.484 1.781 . . . . 74.129999999999995 111.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.05 5.04 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 62.32 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.38 123.27 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.356 -0.979 . . . . 64.329999999999998 108.356 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.93 -2.92 8.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 75.430000000000007 110.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.17 -32.63 4.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.534 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.9 OUTLIER -74.53 -67.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.753 . . . . 73.239999999999995 110.33 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.486 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 8.1 t0 -40.22 -41.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 63.439999999999998 109.294 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -49.94 70.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 75.030000000000001 109.29 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 15' ' ' LEU . 5.3 tp -58.89 -29.35 66.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 75.439999999999998 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.564 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 8.3 t-160 -58.62 -41.62 86.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.109999999999999 109.586 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.451 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -76.85 -21.61 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 71.109999999999999 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 44.5 mtp -90.71 -8.17 50.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 73.340000000000003 110.962 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' CG1' ' HB2' ' A' ' 27' ' ' LYS . 51.1 t -94.91 -51.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 62.210000000000001 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -41.93 -50.12 4.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.510000000000005 109.307 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.453 ' O ' ' N ' ' A' ' 52' ' ' GLY . 5.2 mp -50.28 -52.61 34.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 75.409999999999997 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.41 ' HD3' ' CE1' ' A' ' 12' ' ' PHE . 3.4 mmmt -40.51 -30.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 74.409999999999997 109.305 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.422 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -91.08 -43.31 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.03 14.73 7.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 72.540000000000006 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -120.39 72.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 73.219999999999999 110.308 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.61 -17.97 63.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 75.010000000000005 110.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -39.0 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 74.420000000000002 110.378 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.76 -44.13 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 70.409999999999997 110.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.451 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.6 -37.84 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 73.230000000000004 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -61.99 -38.94 90.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 72.400000000000006 110.35 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -67.63 -62.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 73.019999999999996 109.259 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.3 t -43.61 -45.6 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 72.219999999999999 110.0 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.474 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 12.3 mt -56.08 -47.53 77.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.329999999999998 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -66.62 -13.68 61.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -88.1 12.95 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.019999999999996 109.338 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 20.2 mt -124.45 54.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.209999999999994 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' C ' ' NH2' ' A' ' 71' ' ' ARG . 9.4 mmmm -59.64 -15.87 22.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.97 -44.02 11.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 73.519999999999996 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.447 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -78.02 130.17 36.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.318 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.35 -17.23 26.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 109.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 3.2 t -77.75 -19.53 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 74.150000000000006 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.474 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -69.98 -7.91 44.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 74.030000000000001 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NH2' ' O ' ' A' ' 64' ' ' LEU . 5.3 mmt85 -101.24 -37.19 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.457 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -80.58 -11.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 24.6 t -96.64 -6.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 74.239999999999995 109.275 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.524 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -87.94 -35.64 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 70.219999999999999 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.457 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 8.7 ptt-85 -98.28 -5.99 31.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 75.340000000000003 110.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -91.67 -44.74 8.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 73.030000000000001 110.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.796 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 22.0 m-90 -106.73 -58.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.97 -1.122 . . . . 74.109999999999999 107.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.524 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -57.45 -24.88 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 71.150000000000006 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 55.23 41.36 78.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 75.140000000000001 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.447 ' O ' ' O ' ' A' ' 79' ' ' GLY . 20.5 m -60.51 -140.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 71.230000000000004 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.447 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.2 t0 -112.32 26.7 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 64.420000000000002 109.273 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 81' ' ' ASP . 88.0 p 35.88 51.55 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 72.040000000000006 109.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -54.98 -18.47 5.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 72.120000000000005 110.365 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 1.0 OUTLIER -98.84 -161.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 70.109999999999999 110.331 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 3.8 t0 -93.38 132.01 31.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 75.030000000000001 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.23 5.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 73.109999999999999 110.979 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' CG ' ' OD1' ' A' ' 85' ' ' ASP . 3.2 mm-40 -126.35 -168.81 1.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 70.340000000000003 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 10.1 mt-10 -107.41 129.8 23.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 75.519999999999996 111.013 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 75.219999999999999 110.999 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 67.1 m-20 -119.24 26.55 9.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -46.87 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 64.450000000000003 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.434 ' O ' ' C ' ' A' ' 94' ' ' TRP . 4.1 m -66.13 -50.28 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.031 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.612 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 2.4 t90 -39.89 -67.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 108.038 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.5 ' CB ' ' O ' ' A' ' 91' ' ' ASP . . . -39.21 -53.67 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 70.299999999999997 109.297 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.408 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.1 t -51.67 -46.54 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -60.53 -62.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 27.1 mtt180 -48.46 -25.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 73.319999999999993 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.464 ' CD1' HD12 ' A' ' 43' ' ' LEU . 2.3 tp -81.13 -40.71 23.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.571 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 3.7 m-85 -76.53 -10.63 59.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 64.310000000000002 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.0 t60 -77.82 -18.93 55.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 65.310000000000002 109.625 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -97.26 -28.43 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 72.329999999999998 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.468 ' CD2' ' OE1' ' A' ' 106' ' ' GLU . 43.2 mt -65.87 -29.04 69.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.099999999999994 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -76.95 -3.27 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 109.327 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.42 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -99.74 -20.24 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.530000000000001 110.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.5 ' OE2' ' CD2' ' A' ' 26' ' ' LEU . 3.0 pt-20 -105.38 -9.47 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.120000000000005 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 77.44 38.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.45 ' HG ' ' CG ' ' A' ' 106' ' ' GLU . 10.2 mt -95.64 -39.58 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 72.329999999999998 109.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.483 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.6 m -140.14 148.67 55.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 74.019999999999996 108.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 155.52 43.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 73.5 110.991 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.03 -12.94 43.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 109.321 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -16.4 61.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 63.219999999999999 109.967 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.566 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 3.7 mm? -96.47 -40.35 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 72.150000000000006 109.349 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.605 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.4 ttm180 -57.54 -25.77 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.503 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -81.68 -66.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 74.519999999999996 109.293 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -45.59 -35.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 62.340000000000003 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -65.01 -53.28 48.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 72.120000000000005 109.315 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.605 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 2.0 m-85 -53.27 -43.64 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 75.239999999999995 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 75.0 mt-30 -53.57 -52.27 60.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 72.310000000000002 110.336 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.21 -13.93 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 71.040000000000006 110.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -91.7 -30.13 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 64.420000000000002 109.351 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 123' ' ' ARG . 1.0 OUTLIER -81.54 -27.18 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 63.409999999999997 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -76.12 -32.82 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -40.37 65.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.530000000000001 110.41 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.55 HD11 ' CE3' ' A' ' 94' ' ' TRP . 84.8 mt -76.79 -43.82 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.219999999999999 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 68.2 m -65.11 -35.79 82.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 70.209999999999994 109.975 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 10.6 t -66.71 -36.56 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.009 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -100.66 6.44 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 74.019999999999996 110.332 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.4 m-20 42.1 49.22 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 70.319999999999993 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.499 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 27.3 t0 -62.33 176.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -92.93 -15.34 26.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 64.219999999999999 109.596 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.1 OUTLIER -101.41 16.5 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 74.099999999999994 110.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.439 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -70.73 -63.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 73.030000000000001 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.439 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -53.9 -30.16 44.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 63.100000000000001 110.973 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.73 -29.57 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 73.219999999999999 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.612 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 40.8 tp -74.7 -42.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.456 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 39.0 mm-40 -62.74 -13.96 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 73.450000000000003 110.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -106.77 -4.97 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 75.25 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.36 -47.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 73.450000000000003 110.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.557 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -66.91 -16.43 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.200000000000003 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 36.7 mtm180 -91.63 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 75.519999999999996 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -51.4 -21.79 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 75.430000000000007 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.0 mmp_? -85.92 -77.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.42 -55.99 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 74.010000000000005 108.28 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.81 65.34 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 74.450000000000003 111.014 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.591 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.36 -170.77 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.98 -1.118 . . . . 75.230000000000004 107.98 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -114.7 62.69 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.591 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 9.9 tt -65.59 -37.06 79.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.456 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -46.59 -25.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 73.030000000000001 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 101.43 4.44 52.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 54.32 110.987 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -50.36 163.66 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 72.409999999999997 109.323 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.28 21.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 73.030000000000001 111.0 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.07 6.44 42.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 65.120000000000005 111.026 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t 71.71 38.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 74.019999999999996 109.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 4.9 pt -109.81 166.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 72.450000000000003 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 63.43 110.313 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.7 p80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.587 -0.523 . . . . 75.129999999999995 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.83 17.6 22.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.400000000000006 110.973 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.46 115.86 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.109999999999999 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.94 92.93 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.430000000000007 108.306 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 t -39.63 137.1 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 71.340000000000003 110.367 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.39 -87.63 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 75.049999999999997 110.974 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 116' ' ' VAL . 18.3 Cg_endo -74.99 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 75.310000000000002 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.421 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 1.8 t 179.99 178.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 71.400000000000006 109.966 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -68.55 -52.01 20.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 63.109999999999999 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.05 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 74.019999999999996 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.455 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 58.3 m -44.62 -44.99 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.32 -37.66 86.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 73.200000000000003 109.287 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.24 -35.86 78.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 74.230000000000004 111.004 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.21 -53.29 46.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 75.200000000000003 109.314 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.9 mt -56.66 -24.32 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 74.340000000000003 109.269 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.462 HD12 ' CD1' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.41 -56.61 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 63.009999999999998 109.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.77 -6.73 52.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 74.540000000000006 110.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.54 -16.51 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.230000000000004 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.428 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -68.43 -65.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 159.19 139.06 2.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 73.200000000000003 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -42.18 -58.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 72.219999999999999 110.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -62.54 -25.31 67.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 64.340000000000003 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -67.13 -17.32 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 109.307 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' O ' ' CB ' ' A' ' 27' ' ' LYS . 1.0 OUTLIER -93.6 -44.38 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.239999999999995 109.273 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.1 mt -61.53 -48.36 81.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.25 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.95 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 74.420000000000002 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.56 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 87.1 mt -49.05 -38.65 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.645 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.28 -52.15 62.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 75.120000000000005 109.266 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.645 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.6 m-70 -65.08 -12.13 47.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 71.430000000000007 109.614 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -86.12 -49.82 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 73.400000000000006 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.572 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 1.8 mt -59.97 -16.52 31.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 75.400000000000006 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.445 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 9.7 mmtt -39.49 -39.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' THR . 0.5 OUTLIER -110.93 119.14 46.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 74.439999999999998 110.375 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.06 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 75.530000000000001 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.05 164.79 37.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 111.029 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.63 22.57 13.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 70.109999999999999 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.25 116.01 22.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.316 -0.994 . . . . 74.420000000000002 108.316 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -119.85 -8.78 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 74.299999999999997 110.263 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.64 -38.0 2.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 72.140000000000001 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.454 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.3 OUTLIER -63.22 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.420000000000002 110.279 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 7.3 t0 -45.87 -41.21 10.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 74.340000000000003 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 19.1 tp -60.99 -54.35 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 74.340000000000003 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.467 ' CD1' ' HE1' ' A' ' 46' ' ' MET . 12.6 tp -56.26 -32.29 64.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.349999999999994 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.572 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 8.8 t-160 -56.38 -27.85 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.150000000000006 109.587 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.474 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . . . -86.76 -20.92 26.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 74.230000000000004 109.374 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.564 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 42.4 mtp -93.37 -7.3 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 60.2 t -94.71 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 75.209999999999994 109.299 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.38 -40.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 72.340000000000003 109.295 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.451 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.2 mt -55.15 -58.64 6.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.442 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 21.6 mmtt -42.99 -28.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 75.420000000000002 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.438 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.7 mt -83.68 -45.63 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 71.019999999999996 109.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.52 18.8 6.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 74.140000000000001 111.019 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.25 81.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 71.319999999999993 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -71.64 -20.04 62.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.84 -35.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 71.099999999999994 110.361 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -86.67 -48.36 8.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 74.120000000000005 110.273 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.464 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.48 -39.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -62.7 -49.92 73.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 75.239999999999995 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.73 -48.03 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 65.310000000000002 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -44.67 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 71.450000000000003 110.017 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.485 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 9.5 mt -62.7 -35.82 80.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 75.349999999999994 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.47 -14.61 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 62.119999999999997 110.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.04 7.72 20.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.248 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -134.31 54.56 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 74.439999999999998 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.425 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.2 mmpt? -59.65 -20.26 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 73.450000000000003 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.4 -52.11 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 65.030000000000001 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.11 111.45 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 72.200000000000003 109.308 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -74.98 -2.05 25.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.502 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 t -88.52 -23.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 74.129999999999995 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.485 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -75.23 -46.87 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 61.25 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.429 ' NH1' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -62.25 -31.63 72.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 110.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.546 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -83.75 -39.08 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.502 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 4.4 t -65.34 -11.42 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 71.340000000000003 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 78' ' ' ALA . . . -77.69 -68.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.030000000000001 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.546 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 3.7 ptt-85 -67.27 -7.11 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 110.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -89.6 -45.07 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.200000000000003 110.326 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.799 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.9 m-90 -113.39 -59.63 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 108.042 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . -46.1 -26.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 75.450000000000003 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 78.33 16.61 79.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 73.409999999999997 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.7 t -43.0 164.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 2.3 t0 -84.65 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.120000000000005 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' ASP . 55.7 p 36.29 33.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 64.409999999999997 109.959 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' ASP . 6.8 p -42.66 -26.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 71.349999999999994 110.373 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 4.9 mm-40 -93.75 -159.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 73.430000000000007 110.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -102.85 139.77 20.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 74.439999999999998 109.298 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 64.019999999999996 110.968 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' CD ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 pt-20 -150.63 129.72 12.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 63.229999999999997 110.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.38 136.33 96.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 74.099999999999994 110.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 73.310000000000002 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 75.109999999999999 111.017 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 1.2 m-20 -99.19 24.55 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.309 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -41.49 -45.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 64.0 109.264 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -106.3 -41.39 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 72.530000000000001 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.522 ' CE2' ' HG ' ' A' ' 136' ' ' LEU . 4.8 t90 -42.88 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 75.200000000000003 108.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.75 -50.67 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 74.239999999999995 109.288 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.9 t -51.86 -32.69 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -74.06 -37.41 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 61.200000000000003 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 10.5 mtt180 -77.78 -16.75 58.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 73.349999999999994 110.335 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.495 ' C ' ' CD1' ' A' ' 99' ' ' LEU . 0.3 OUTLIER -86.09 -52.74 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 109.32 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.511 ' CD2' ' HB3' ' A' ' 113' ' ' LEU . 5.2 m-85 -61.16 -21.09 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 63.219999999999999 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.573 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.1 t60 -67.52 -17.6 64.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 109.59 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -97.21 -31.18 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 76.9 mt -65.54 -30.74 71.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 73.409999999999997 109.328 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.18 -3.41 29.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.31 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . 0.41 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 1.8 mm-40 -99.45 -19.34 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 74.129999999999995 110.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.494 ' OE2' ' CD2' ' A' ' 26' ' ' LEU . 1.2 pt-20 -109.54 12.59 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp 54.89 49.27 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 73.329999999999998 109.348 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.489 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 20.3 mt -112.04 -32.75 6.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.430000000000007 109.339 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.6 m -144.56 140.13 16.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 74.530000000000001 108.3 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 152.15 40.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 71.420000000000002 111.007 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.09 15.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.219999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 19.9 m -55.7 -20.42 14.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 71.219999999999999 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.511 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 2.3 mm? -94.84 -30.36 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.1 ttp180 -70.01 -27.18 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 73.0 110.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.476 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 1.1 p30 -80.34 -50.85 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 75.299999999999997 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.48 ' CG1' ' HD2' ' A' ' 6' ' ' PRO . 51.9 t -66.37 -28.64 44.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 74.129999999999995 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.474 ' CB ' ' O ' ' A' ' 113' ' ' LEU . . . -71.29 -34.07 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 71.109999999999999 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.602 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -74.14 -43.61 56.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 63.210000000000001 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.63 -49.19 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 52.219999999999999 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -58.93 -14.43 9.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 74.209999999999994 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 94' ' ' TRP . . . -93.85 -50.28 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 73.239999999999995 109.337 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.485 HG12 ' CD2' ' A' ' 136' ' ' LEU . 1.4 m -61.42 -25.51 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 74.349999999999994 109.286 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -72.93 -32.71 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 110.312 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.46 ' CG2' HD22 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -83.43 -40.42 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 73.150000000000006 110.365 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.469 ' CD1' ' HG3' ' A' ' 132' ' ' ARG . 2.1 mm? -68.21 -42.67 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.409 ' N ' HD22 ' A' ' 133' ' ' LEU . 24.1 t -73.5 -39.59 64.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.530000000000001 109.967 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 6.0 t -57.96 -32.93 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 71.140000000000001 109.968 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.2 OUTLIER -103.43 -8.29 20.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 75.030000000000001 110.345 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 53.34 51.17 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.409999999999997 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.468 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 25.7 t0 -63.42 -179.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 73.340000000000003 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -94.67 -4.89 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 72.140000000000001 109.637 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -111.31 2.94 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 61.020000000000003 110.347 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.429 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.1 tm? -57.12 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.429 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -52.51 -27.13 25.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 71.510000000000005 110.996 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.25 -31.95 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 75.510000000000005 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.522 ' HG ' ' CE2' ' A' ' 94' ' ' TRP . 5.8 tt -74.69 -42.74 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.019999999999996 109.286 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.478 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 42.2 mm-40 -61.49 -12.08 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 110.331 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.44 -8.97 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -94.94 -50.06 5.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 74.319999999999993 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -63.78 -15.31 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.040000000000006 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 145' ' ' GLY . 49.4 mtm180 -91.23 -62.01 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.53 -22.14 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 75.109999999999999 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.573 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.3 mmp_? -85.36 -78.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.540000000000006 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.59 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.91 -55.57 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 71.209999999999994 108.255 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.46 70.17 0.88 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 44.310000000000002 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.59 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.1 OUTLIER -151.95 -170.38 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.989 -1.115 . . . . 61.200000000000003 107.989 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -114.16 59.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.585 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 4.8 tt -68.44 -14.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 74.450000000000003 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.478 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -78.88 0.22 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 62.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.8 20.45 78.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 64.030000000000001 110.994 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -51.36 164.63 0.47 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 73.150000000000006 109.322 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 75.430000000000007 111.004 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.03 24.94 67.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.125 . . . . 65.209999999999994 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 m 60.56 42.05 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 65.129999999999995 110.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 6.0 pt -101.36 177.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 74.349999999999994 109.316 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 75.129999999999995 110.285 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.9 p80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.588 -0.523 . . . . 73.219999999999999 109.588 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtt -80.09 149.7 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 75.019999999999996 111.046 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -172.71 159.77 4.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.430000000000007 109.339 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -80.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 73.109999999999999 108.335 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 p -127.17 9.11 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 71.140000000000001 110.416 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.94 -85.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 70.420000000000002 111.023 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 74.530000000000001 110.967 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.405 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.38 172.77 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.409999999999997 110.012 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' HG ' ' CG2' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -66.26 -55.52 20.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.129999999999995 109.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.53 15.77 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.478 1.778 . . . . 64.409999999999997 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -54.66 -43.77 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.329999999999998 109.983 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.572 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.19 -26.79 68.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 75.409999999999997 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -69.86 -36.67 75.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 75.420000000000002 110.996 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -42.44 79.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.434 ' CG2' ' HB3' ' A' ' 108' ' ' LEU . 5.2 mt -65.13 -22.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 75.25 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.467 ' CD1' HD11 ' A' ' 43' ' ' LEU . 1.7 mt -70.93 -60.57 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 71.510000000000005 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.49 -12.74 53.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 42.020000000000003 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.75 19.72 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 74.109999999999999 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.437 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -99.12 -72.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 72.439999999999998 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.46 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.92 136.52 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 54.520000000000003 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -40.73 -52.08 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 71.109999999999999 110.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.07 -31.78 66.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.510000000000005 109.324 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.4 tptt -53.36 -25.97 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 74.549999999999997 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.488 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -83.84 -59.0 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.25 109.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD22 ' CD2' ' A' ' 51' ' ' LEU . 66.6 mt -47.16 -57.87 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 64.430000000000007 109.274 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.96 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.230000000000004 110.977 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.9 mt -39.8 -58.9 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 74.409999999999997 109.344 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.431 ' HE2' ' CD2' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 75.120000000000005 109.309 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.43 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 96.1 m-70 -52.55 -22.17 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 75.549999999999997 109.626 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -81.0 -30.79 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 72.400000000000006 109.343 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.565 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 5.4 mt -76.29 -21.5 56.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 75.430000000000007 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.43 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 28.6 mmtt -38.59 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.400000000000006 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -105.01 104.95 49.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 70.109999999999999 110.36 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 140.04 25.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 64.340000000000003 110.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.46 168.1 13.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 75.129999999999995 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 73.010000000000005 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 27.97 36.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.152 . . . . 74.420000000000002 111.031 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.11 118.22 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.265 -1.013 . . . . 73.030000000000001 108.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -4.5 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -108.5 -32.98 3.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 64.400000000000006 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.527 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.2 OUTLIER -74.21 -64.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 74.340000000000003 110.284 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.472 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 5.1 t0 -48.2 -41.88 28.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.409999999999997 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.476 ' CD1' HG22 ' A' ' 73' ' ' VAL . 31.7 tp -60.75 -52.16 66.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 73.140000000000001 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.501 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 6.0 tp -58.25 -31.4 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 75.099999999999994 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.565 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.9 t-160 -59.69 -22.41 61.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.040000000000006 109.62 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.473 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -91.26 -20.55 21.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.3 mtp -93.92 -14.21 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.501 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 38.7 t -86.51 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.415 ' HG ' ' CB ' ' A' ' 56' ' ' GLU . 1.3 mm? -40.27 -29.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 75.540000000000006 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.27 -58.54 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 73.450000000000003 109.289 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -37.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 74.219999999999999 109.282 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD2' HD22 ' A' ' 24' ' ' LEU . 4.0 mp -75.55 -50.66 14.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 73.129999999999995 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.69 10.03 8.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 75.230000000000004 110.956 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -117.7 77.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 74.530000000000001 110.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.2 pt-20 -69.94 -18.54 63.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -39.12 -29.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 64.030000000000001 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -93.11 -45.02 8.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 110.293 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.473 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.7 -41.44 6.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 62.219999999999999 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.6 mtp180 -60.5 -48.57 81.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 70.439999999999998 110.307 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.83 -48.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 75.540000000000006 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -48.82 79.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.468 HD23 ' CB ' ' A' ' 45' ' ' ALA . 5.9 mt -57.73 -39.16 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 109.301 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.71 -14.01 61.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.020000000000003 110.298 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.99 14.66 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 75.099999999999994 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.473 HD11 ' CB ' ' A' ' 70' ' ' ALA . 4.3 mt -132.34 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 72.450000000000003 109.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -54.34 -24.21 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 61.409999999999997 109.28 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.29 -48.15 12.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 73.150000000000006 109.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.39 119.84 14.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 109.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.53 -15.1 38.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.539999999999999 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.49 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 96.1 t -80.31 -20.49 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.473 ' HA ' ' CD1' ' A' ' 42' ' ' LEU . . . -74.82 -66.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 75.420000000000002 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -48.93 -23.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 75.120000000000005 110.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.509 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.6 OUTLIER -87.43 -37.04 17.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 65.519999999999996 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.573 HG11 ' CE3' ' A' ' 77' ' ' TRP . 4.1 t -65.35 -11.3 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 71.530000000000001 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -77.52 -68.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 63.25 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.44 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 5.3 ptt-85 -66.81 -7.81 24.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 72.140000000000001 110.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tp60 -87.98 -47.39 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.530000000000001 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 18.8 m-90 -107.74 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.97 -1.122 . . . . 74.420000000000002 107.97 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -43.62 -36.72 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 89.61 15.04 58.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 75.530000000000001 110.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.414 ' O ' ' O ' ' A' ' 79' ' ' GLY . 44.8 t -45.45 170.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 74.219999999999999 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.407 ' O ' ' OG ' ' A' ' 82' ' ' SER . 0.6 OUTLIER -78.79 3.36 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 62.340000000000003 109.341 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.407 ' OG ' ' O ' ' A' ' 81' ' ' ASP . 88.3 p 55.69 52.17 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 74.310000000000002 110.008 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -57.61 -16.22 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 110.371 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 14.1 mt-10 -93.99 -161.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 110.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.28 121.32 82.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 72.049999999999997 109.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.525 1.803 . . . . 64.239999999999995 111.007 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -135.49 -168.76 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 70.120000000000005 110.293 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -108.02 138.25 20.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 110.278 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.03 173.65 14.15 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 74.239999999999995 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 64.040000000000006 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.587 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 35.9 m-20 -116.8 22.72 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 75.530000000000001 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -37.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 53.409999999999997 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -105.96 -41.25 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 110.028 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.599 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.5 t90 -44.82 -55.92 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 70.200000000000003 108.026 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' CB ' ' CG1' ' A' ' 69' ' ' VAL . . . -50.03 -36.51 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 74.140000000000001 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.472 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 7.5 t -71.8 -29.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 73.409999999999997 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.566 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -72.64 -41.78 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 72.239999999999995 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 1.3 mtt180 -78.15 -30.1 49.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 110.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.467 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 4.2 tp -69.77 -39.73 76.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.572 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 6.2 m-85 -77.92 -22.57 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.530000000000001 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -60.82 -25.22 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.6 mt -92.7 -43.12 9.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.417 ' CB ' ' SG ' ' A' ' 109' ' ' CYS . 95.1 mt -62.45 -17.57 59.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 71.329999999999998 109.307 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.26 -18.04 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 64.430000000000007 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -99.9 -30.05 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 72.140000000000001 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -67.4 -17.43 64.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 64.329999999999998 110.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt 79.2 41.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 73.519999999999996 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.434 ' HB3' ' CG2' ' A' ' 14' ' ' ILE . 43.6 mt -111.59 -36.94 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 75.439999999999998 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.417 ' SG ' ' CB ' ' A' ' 103' ' ' LEU . 2.1 p -138.12 151.3 69.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 62.340000000000003 108.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.03 42.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 73.140000000000001 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.54 -12.23 42.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 65.310000000000002 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.2 m -63.57 -45.21 91.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.010000000000005 109.962 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 24.7 mt -60.63 -38.11 83.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 72.430000000000007 109.304 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -57.2 -28.41 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.310000000000002 110.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.597 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -81.96 -64.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 74.109999999999999 109.307 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 115' ' ' ASP . 21.2 t -40.23 -40.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.209999999999994 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.88 -58.82 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 75.109999999999999 109.325 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.6 m-85 -47.93 -40.82 23.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.567 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 83.6 mt-30 -57.17 -37.93 72.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 60.399999999999999 110.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -75.82 -8.31 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 73.120000000000005 110.354 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.4 ' C ' ' CD2' ' A' ' 136' ' ' LEU . . . -99.4 -36.67 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 73.219999999999999 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.567 ' CG1' ' HA ' ' A' ' 119' ' ' GLN . 1.8 p -80.85 -35.63 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 74.200000000000003 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -68.95 -28.6 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 110.331 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.413 HG22 ' N ' ' A' ' 125' ' ' LEU . 1.2 t -85.39 -37.52 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.428 HD22 ' CE3' ' A' ' 94' ' ' TRP . 4.9 mp -79.03 -25.01 43.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 74.510000000000005 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.6 m -74.38 -44.28 52.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.119999999999997 109.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 110.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.509 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.9 OUTLIER -94.93 2.15 55.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.030000000000001 110.327 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 41.28 52.94 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 109.328 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.509 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 20.2 t0 -56.28 157.14 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.349999999999994 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -71.44 -9.05 57.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.568 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.51 11.06 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 74.120000000000005 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 0.8 OUTLIER -61.85 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 71.319999999999993 109.322 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.539 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -53.15 -29.89 37.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.118 . . . . 71.209999999999994 110.976 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.35 -33.24 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 74.150000000000006 110.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.599 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 31.4 tp -75.36 -39.62 59.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 75.200000000000003 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.47 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 13.1 mm-40 -63.97 -18.41 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 70.209999999999994 110.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -102.65 -4.69 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 75.239999999999995 109.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.7 tt0 -98.88 -47.09 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 73.299999999999997 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.08 -18.06 65.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 75.349999999999994 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.47 ' O ' ' N ' ' A' ' 145' ' ' GLY . 22.4 mtm180 -92.45 -60.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 110.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -50.67 -22.49 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 75.549999999999997 109.337 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.4 mmp_? -86.93 -78.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 110.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -61.5 -55.98 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 65.549999999999997 108.342 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.26 68.8 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 64.200000000000003 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.597 ' CZ3' ' OD2' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -151.37 -171.17 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 74.230000000000004 108.0 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.14 61.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 65.450000000000003 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.586 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 2.8 tt -70.37 -35.03 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -52.59 -21.93 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 72.5 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.63 -8.85 37.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 60.109999999999999 111.002 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.07 149.77 4.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 64.129999999999995 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 72.150000000000006 111.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 94.24 3.89 63.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 62.409999999999997 111.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 t 67.4 54.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 63.240000000000002 109.97 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 10.3 pt -121.26 115.17 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 74.129999999999995 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 72.409999999999997 110.323 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.589 -0.523 . . . . 73.450000000000003 109.589 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mtm -82.08 121.63 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.409999999999997 111.033 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . 71.63 36.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.409999999999997 109.325 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.74 -42.7 27.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 75.230000000000004 108.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.1 p -64.28 -174.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 110.388 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.45 -97.99 2.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 63.520000000000003 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.458 ' CD ' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.95 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 74.109999999999999 111.028 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -173.63 171.22 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 109.998 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.554 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -73.39 -49.84 6.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 64.230000000000004 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 75.299999999999997 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -59.46 -40.92 88.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.98 -35.67 80.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 71.439999999999998 109.276 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.798 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -65.08 -35.85 82.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.995 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.51 -28.19 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 109.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 32.5 mt -78.04 -17.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 109.301 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.555 ' CD1' ' CD2' ' A' ' 43' ' ' LEU . 2.8 mt -73.37 -55.03 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 72.409999999999997 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.69 -6.26 49.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 54.539999999999999 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.91 12.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 74.200000000000003 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.462 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -57.92 -71.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 73.439999999999998 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.53 139.26 2.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 74.049999999999997 110.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -39.78 -61.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 74.109999999999999 110.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.74 -24.05 66.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 72.310000000000002 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.499 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.9 tptm -61.54 -16.19 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 74.540000000000006 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.436 ' HG ' ' O ' ' A' ' 19' ' ' GLY . 1.3 mt -92.4 -52.37 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 74.030000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 mm? -55.48 -51.89 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.305 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CE2' HD22 ' A' ' 26' ' ' LEU . 1.4 t80 -53.47 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.150000000000006 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 HD22 ' CE2' ' A' ' 25' ' ' TYR . 62.1 mt -43.11 -45.22 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 74.519999999999996 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.15 -54.96 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.7 m-70 -64.39 -11.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 71.409999999999997 109.622 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -88.47 -38.26 15.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 75.5 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.7 mt -71.89 -20.52 61.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 39.7 mmtt -38.3 -42.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 75.319999999999993 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -99.32 109.27 54.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 72.219999999999999 110.396 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.56 25.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 74.430000000000007 110.992 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -90.48 168.89 13.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 75.439999999999998 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 75.450000000000003 110.97 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.66 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.7 116.57 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.268 -1.012 . . . . 71.150000000000006 108.268 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -6.64 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.519999999999996 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.7 -35.28 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 73.439999999999998 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.467 ' CG ' HD21 ' A' ' 30' ' ' LEU . 1.8 tt0 -66.08 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 63.210000000000001 110.334 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.482 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.2 t70 -48.95 -40.24 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.200000000000003 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.471 ' CD1' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.83 -55.19 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 74.140000000000001 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.596 ' CD1' ' CD2' ' A' ' 99' ' ' LEU . 2.3 mt -58.13 -34.21 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.109999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.9 t-160 -57.32 -20.88 31.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 72.030000000000001 109.556 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.467 ' CB ' HD21 ' A' ' 61' ' ' LEU . . . -91.24 -20.17 22.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.571 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 38.7 mtp -98.6 -14.04 20.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.439999999999998 110.975 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 41.3 t -85.44 -50.69 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -43.85 -48.5 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 65.420000000000002 109.255 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.457 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.3 mt -50.94 -51.48 51.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 74.209999999999994 109.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 1.1 mmmt -41.23 -29.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 74.120000000000005 109.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.462 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -90.55 -43.21 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 64.040000000000006 109.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.04 16.25 6.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 60.020000000000003 111.001 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -125.3 82.81 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 75.140000000000001 110.289 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -76.95 -18.63 58.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 74.030000000000001 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -37.99 -34.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 73.150000000000006 110.378 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ILE . 20.1 mp0 -88.73 -46.77 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 110.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.457 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.49 -35.77 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.4 mtp180 -69.07 -50.07 51.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 110.306 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -55.55 -39.67 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 72.239999999999995 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 2.9 p -66.08 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.430000000000007 110.031 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.467 HD21 ' CB ' ' A' ' 45' ' ' ALA . 8.9 mt -53.03 -46.41 68.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 65.430000000000007 109.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' CD ' ' A' ' 65' ' ' LYS . 4.1 tp10 -64.29 -18.23 64.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 110.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -72.75 -5.37 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 52.310000000000002 109.286 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.482 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 3.6 mt -119.98 51.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 74.319999999999993 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 62' ' ' GLU . 5.9 mmmt -50.11 -24.64 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.269 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.49 -44.15 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 75.239999999999995 109.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 64' ' ' LEU . 11.1 m-20 -72.26 107.4 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.019999999999996 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -72.72 -5.25 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 70.400000000000006 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.442 HG12 ' CB ' ' A' ' 95' ' ' ALA . 1.6 t -78.37 -40.22 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 73.439999999999998 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.444 ' CB ' HD12 ' A' ' 64' ' ' LEU . . . -61.53 -57.98 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -50.21 -28.09 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 74.209999999999994 110.331 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -88.15 -29.65 20.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 74.209999999999994 109.325 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.471 HG13 ' CD1' ' A' ' 42' ' ' LEU . 3.4 t -79.69 -6.71 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.556 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -82.05 -36.65 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 70.140000000000001 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.474 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 5.8 ptt-85 -99.03 -5.37 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.53 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.5 tp-100 -86.82 -48.46 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 64.219999999999999 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.798 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 26.5 m-90 -109.47 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 74.129999999999995 108.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.556 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -41.89 -28.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 73.340000000000003 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.06 18.47 74.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 74.530000000000001 110.963 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.506 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 50.1 t -44.63 168.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 73.120000000000005 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.506 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.8 OUTLIER -81.68 24.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 72.140000000000001 109.282 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.456 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 70.9 p 38.26 50.49 1.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 74.200000000000003 110.007 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.4 p -48.18 -22.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 71.030000000000001 110.393 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -86.84 -163.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 75.430000000000007 110.334 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.16 157.68 36.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 73.439999999999998 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 82.32 2.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 71.420000000000002 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -144.86 117.17 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 73.319999999999993 110.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 10.5 mt-10 -60.03 141.92 89.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 71.519999999999996 110.285 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 171.89 17.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 74.040000000000006 111.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.09 15.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 74.409999999999997 111.009 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD2' ' NH1' ' A' ' 98' ' ' ARG . 94.3 m-20 -104.5 26.76 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.430000000000007 109.24 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.35 -41.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 65.25 109.312 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.9 m -104.55 -40.84 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 63.310000000000002 109.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.586 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.2 t90 -43.16 -54.6 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 74.439999999999998 108.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.442 ' CB ' HG12 ' A' ' 69' ' ' VAL . . . -56.3 -39.99 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 63.210000000000001 109.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.453 HG23 ' CB ' ' A' ' 8' ' ' LEU . 40.8 t -64.01 -23.26 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 75.439999999999998 109.294 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.5 -40.63 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.420000000000002 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.446 ' NH1' ' OD2' ' A' ' 91' ' ' ASP . 13.5 mtt180 -71.18 -23.12 61.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.596 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 6.8 tt -74.4 -52.56 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.439999999999998 109.284 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.5 m-85 -62.49 -28.11 69.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 65.439999999999998 111.026 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -53.67 -20.98 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 72.230000000000004 109.579 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.1 mt -97.13 -25.86 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.09 . . . . 75.109999999999999 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.464 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 85.0 mt -70.52 -16.17 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 72.400000000000006 109.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.31 -1.81 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 74.099999999999994 109.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.54 -18.49 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 70.099999999999994 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.495 ' OE1' ' CD1' ' A' ' 26' ' ' LEU . 2.1 pt-20 -107.21 -6.04 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.030000000000001 110.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 74.45 24.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.510000000000005 109.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 19.0 mt -80.56 -27.21 37.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 74.510000000000005 109.334 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.431 ' SG ' ' HB2' ' A' ' 113' ' ' LEU . 0.4 OUTLIER -157.76 143.17 12.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 108.313 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.418 ' HD2' ' SG ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.03 148.18 34.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 72.349999999999994 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.405 ' O ' ' C ' ' A' ' 112' ' ' SER . . . -50.35 -22.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 75.400000000000006 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' ALA . 3.5 m -38.76 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 64.510000000000005 110.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 115' ' ' ASP . 2.0 mm? -70.13 -54.48 12.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 ttp180 -38.52 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 75.230000000000004 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.4 OUTLIER -78.81 -69.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.25 109.31 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.2 t -39.41 -47.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.109999999999999 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -55.75 -63.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 74.310000000000002 109.272 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.8 m-85 -43.26 -43.85 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 61.32 110.962 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -53.06 -49.84 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 75.530000000000001 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.7 -16.94 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.120000000000005 110.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.492 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.92 -17.93 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 75.439999999999998 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.469 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 13.5 t -85.04 -31.24 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.3 OUTLIER -83.54 -29.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 110.311 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.424 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.8 t -68.61 -38.33 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.423 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.57 HD23 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -78.28 -32.91 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.510000000000005 109.366 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.425 ' N ' HD23 ' A' ' 133' ' ' LEU . 32.6 t -68.4 -48.21 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 72.109999999999999 110.001 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -55.56 -52.89 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 61.200000000000003 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.433 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.0 OUTLIER -86.91 3.17 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 73.430000000000007 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.2 m-20 40.1 47.97 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 75.349999999999994 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 26.7 t0 -49.39 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 74.409999999999997 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.51 -2.57 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 109.624 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.436 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -114.36 5.83 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 63.420000000000002 110.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.546 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -53.2 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.049999999999997 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.546 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -47.9 -31.75 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 62.340000000000003 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.96 -35.89 80.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 73.109999999999999 110.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.586 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 46.4 tp -74.1 -39.05 63.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.549999999999997 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.469 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 47.1 mm-40 -62.68 -17.18 60.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 75.310000000000002 110.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -106.18 -18.02 14.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 74.329999999999998 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 0.3 OUTLIER -84.95 -59.81 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.5 110.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.507 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -51.77 -20.82 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.040000000000006 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 40.3 mtm180 -86.5 -58.72 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 110.36 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -50.68 -22.58 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.7 mmp_? -83.6 -78.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 110.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.52 -55.57 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 108.34 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.28 65.28 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 61.520000000000003 111.011 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CZ3' ' OD1' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -147.33 -169.21 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.109 . . . . 73.219999999999999 108.004 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.88 61.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.349999999999994 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.573 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 4.2 tt -70.4 -22.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.457 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -56.32 -24.74 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 64.230000000000004 109.309 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 98.82 -3.31 58.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 70.329999999999998 111.035 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.33 164.06 1.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 72.030000000000001 109.325 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 74.510000000000005 111.024 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.79 24.85 14.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 62.109999999999999 111.014 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 m 57.24 34.44 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 63.43 109.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 4.7 mm -46.23 153.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 110.291 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.594 -0.521 . . . . 74.329999999999998 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt -97.58 85.89 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 73.200000000000003 111.013 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.87 100.92 9.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.340000000000003 109.335 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -96.78 24.42 6.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 73.230000000000004 108.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.1 m -121.5 142.46 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 61.549999999999997 110.424 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.79 -88.51 1.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 64.519999999999996 110.95 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.559 1.82 . . . . 75.030000000000001 110.993 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t -179.77 170.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.047 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.533 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.6 OUTLIER -61.01 -50.6 84.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.519999999999996 109.348 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.96 -34.87 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 71.219999999999999 111.057 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -43.92 -47.2 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.329999999999998 109.993 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.51 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -60.49 -38.13 83.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 75.310000000000002 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -66.02 -35.94 81.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.150000000000006 111.005 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.06 -30.47 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.409999999999997 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 10.6 mt -75.16 -19.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 74.510000000000005 109.319 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.455 HD13 ' CD1' ' A' ' 43' ' ' LEU . 0.4 OUTLIER -71.22 -57.18 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.25 109.328 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -65.06 -10.8 48.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 71.420000000000002 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.02 19.34 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 74.209999999999994 109.324 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.448 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -99.93 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.52 136.01 2.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 61.329999999999998 110.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 38.2 tp60 -37.76 -55.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 75.239999999999995 110.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -38.84 87.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 74.209999999999994 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 19' ' ' GLY . 5.1 tptm -46.21 -31.47 2.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 75.209999999999994 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.96 -68.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 75.409999999999997 109.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 51' ' ' LEU . 94.1 mt -39.91 -58.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 74.540000000000006 109.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.5 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 74.5 111.008 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 10.8 mt -39.15 -57.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 75.439999999999998 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.461 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.2 OUTLIER -43.98 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 73.209999999999994 109.306 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.424 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 93.7 m-70 -54.58 -20.02 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.576 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 26' ' ' LEU . 1.2 tptm -84.66 -27.53 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 73.219999999999999 109.291 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 4.2 mt -81.34 -24.81 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 27.6 mmtt -38.34 -32.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 72.420000000000002 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -102.81 107.07 53.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 72.209999999999994 110.422 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.792 . . . . 72.530000000000001 111.055 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -83.39 167.78 26.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 72.140000000000001 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.65 2.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 73.230000000000004 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.02 36.67 51.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 72.400000000000006 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 126.19 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 73.120000000000005 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.84 -0.08 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.26 -27.38 7.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 111.025 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.521 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.6 tt0 -79.98 -54.89 5.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 74.099999999999994 110.275 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.485 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 9.8 t0 -55.07 -40.57 70.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.239999999999995 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.472 HD23 ' CB ' ' A' ' 73' ' ' VAL . 0.2 OUTLIER -60.65 -52.88 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 74.010000000000005 109.311 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.455 ' CD1' HD13 ' A' ' 15' ' ' LEU . 15.0 tp -57.53 -29.04 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.9 t-160 -57.65 -32.87 67.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.598 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.471 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -81.19 -27.88 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 71.549999999999997 109.234 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.57 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 57.8 mtp -85.57 -8.26 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 74.329999999999998 110.955 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 89.8 t -94.37 -51.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.276 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.443 ' CD2' ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -42.11 -45.81 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.463 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.3 mt -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 73.319999999999993 109.287 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 0.1 OUTLIER -40.21 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 74.019999999999996 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -95.18 -42.4 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.91 16.34 7.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 62.329999999999998 111.011 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.2 pt20 -118.05 71.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 74.420000000000002 110.298 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.03 -17.64 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 74.239999999999995 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.0 -35.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.087 . . . . 75.519999999999996 110.438 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' ILE . 16.6 mp0 -87.48 -44.41 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 110.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.471 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.63 -35.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 71.450000000000003 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -69.05 -44.29 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 110.279 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.5 mp -61.38 -55.11 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.430000000000007 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -48.28 68.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 72.25 110.027 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.499 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 9.9 mt -54.71 -48.48 72.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 75.140000000000001 109.328 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -65.06 -15.76 62.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.019999999999996 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.19 7.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 64.519999999999996 109.259 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.485 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 28.3 mt -125.07 54.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 72.010000000000005 109.264 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.423 ' HA ' ' NH2' ' A' ' 71' ' ' ARG . 17.0 mtpp -64.9 -12.4 48.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.18 17.21 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 72.219999999999999 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' NE ' ' A' ' 71' ' ' ARG . 3.5 t0 -148.19 136.16 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 70.340000000000003 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.57 -28.99 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 71.150000000000006 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 HG21 ' CB ' ' A' ' 95' ' ' ALA . 4.4 m -62.41 -34.34 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 72.310000000000002 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.499 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -66.78 -7.9 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 75.200000000000003 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NE ' ' O ' ' A' ' 67' ' ' ASP . 6.0 mmt85 -98.47 -32.74 11.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 74.439999999999998 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.455 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -84.08 -29.16 27.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.271 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.472 ' CB ' HD23 ' A' ' 42' ' ' LEU . 28.2 t -76.58 -6.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.542 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -86.22 -38.17 17.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 75.239999999999995 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.455 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 5.2 ptt-85 -97.93 -6.22 32.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.129999999999995 110.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.1 tp-100 -88.77 -45.02 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 75.310000000000002 110.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.626 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.8 m-90 -109.11 -59.65 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 74.340000000000003 108.03 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.542 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.46 -31.94 47.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 73.120000000000005 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 61.8 42.51 99.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 62.119999999999997 110.978 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.429 ' O ' ' O ' ' A' ' 79' ' ' GLY . 19.4 m -61.16 -138.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 74.120000000000005 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.455 ' O ' ' C ' ' A' ' 82' ' ' SER . 4.7 t0 -113.73 32.77 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 71.120000000000005 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 81' ' ' ASP . 33.5 p 35.38 43.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 73.25 109.99 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -43.71 -26.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 75.129999999999995 110.424 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 5.9 mm-40 -90.71 -162.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 110.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -94.5 146.93 32.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 65.230000000000004 109.286 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.94 4.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 64.439999999999998 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -135.29 167.54 20.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 71.329999999999998 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -89.21 141.32 29.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 71.319999999999993 110.29 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 173.75 13.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 71.349999999999994 111.003 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.11 18.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 74.219999999999999 111.007 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -120.16 27.31 8.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 109.301 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -49.33 -43.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.303 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -104.66 -33.1 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 110.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.597 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 4.0 t90 -55.58 -59.37 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 108.061 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.453 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -42.81 -48.93 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 21.2 t -49.02 -41.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.120000000000005 109.293 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.554 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -71.83 -26.92 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 7.0 mmt180 -79.72 -26.68 40.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 110.293 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.506 ' C ' ' CD2' ' A' ' 99' ' ' LEU . 3.3 tt -83.65 -55.39 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.534 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 9.5 m-85 -58.3 -19.87 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 74.010000000000005 111.021 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -67.65 -24.53 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 74.530000000000001 109.583 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -93.81 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.46 HD11 ' CD2' ' A' ' 99' ' ' LEU . 56.7 mt -62.87 -21.78 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 73.010000000000005 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.54 -13.02 61.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 70.099999999999994 109.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.67 -19.7 16.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 73.400000000000006 110.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -91.65 -5.69 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 71.209999999999994 110.317 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp 68.02 42.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 72.109999999999999 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.448 ' CD2' ' HB3' ' A' ' 18' ' ' ALA . 55.2 mt -105.92 -30.01 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.1 p -149.01 148.95 28.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 62.229999999999997 108.271 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.41 38.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 64.310000000000002 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.9 -21.23 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 74.150000000000006 109.278 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.407 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 14.2 p -54.78 -44.21 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 63.520000000000003 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.41 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . 13.1 mt -66.69 -31.92 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 71.519999999999996 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 1.7 ttp180 -67.17 -30.45 70.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 73.239999999999995 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.11 -48.22 11.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.473 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 15.9 t -57.54 -36.79 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.510000000000005 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.21 79.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 75.019999999999996 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 2.3 m-85 -69.3 -41.37 76.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.519999999999996 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 84.9 mt-30 -56.09 -45.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 71.120000000000005 110.289 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.94 -12.8 57.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -93.74 -33.18 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 73.349999999999994 109.316 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.495 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -77.55 -29.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.129999999999995 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.422 ' N ' HG22 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -77.16 -32.89 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 71.310000000000002 110.34 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.26 -34.95 59.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 110.392 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.562 HD21 ' CE3' ' A' ' 94' ' ' TRP . 5.0 mp -82.91 -37.89 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 109.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 46.3 t -70.42 -33.76 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.109999999999999 110.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.6 t -68.68 -40.47 80.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 73.310000000000002 110.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.541 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 1.7 ptt85 -97.89 2.89 49.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.0 m-20 45.74 50.66 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.541 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 19.1 t0 -54.98 174.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -93.76 -1.74 54.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 72.430000000000007 109.556 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -1.3 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 75.230000000000004 110.248 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.429 HD21 ' CB ' ' A' ' 125' ' ' LEU . 3.0 tm? -47.23 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 74.0 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -46.39 -37.37 8.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 64.439999999999998 111.003 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.36 -34.89 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 65.5 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.597 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 31.8 tp -72.21 -37.55 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 74.510000000000005 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.481 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 44.9 mm-40 -64.87 -14.06 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 74.420000000000002 110.329 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -103.9 -23.91 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.406 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -76.19 -61.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.349999999999994 110.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.556 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -51.34 -21.41 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 74.239999999999995 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 145' ' ' GLY . 14.5 mtm180 -86.05 -62.78 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 75.310000000000002 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -49.15 -24.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 73.25 109.258 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.404 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.5 mmp_? -84.07 -79.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 74.420000000000002 110.258 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.98 -56.12 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.129999999999995 108.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.17 70.83 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 62.219999999999999 111.049 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.581 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.56 -169.58 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 75.230000000000004 108.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . 0.47 ' OD1' ' CB ' ' A' ' 151' ' ' ASP . 2.2 m-20 -114.03 61.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.266 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.581 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 5.7 tt -71.46 -34.79 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 73.230000000000004 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -41.39 -29.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 73.040000000000006 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 124.43 -4.15 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 72.209999999999994 110.995 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.47 ' CB ' ' OD1' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -49.95 165.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 75.099999999999994 109.306 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.479 1.778 . . . . 70.010000000000005 110.961 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.97 14.1 45.38 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 53.350000000000001 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.5 t -109.06 11.17 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 70.239999999999995 109.94 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 40.5 mt -117.09 168.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.291 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 4.4 ptm180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 110.29 179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.586 -0.524 . . . . 74.239999999999995 109.586 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.6 36.08 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.409999999999997 111.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.44 128.92 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 71.329999999999998 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.21 72.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 54.200000000000003 108.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 t -69.06 177.57 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 51.32 110.433 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.75 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 74.439999999999998 111.041 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.474 ' CD ' HD13 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 74.409999999999997 111.011 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.436 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 178.18 152.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 64.319999999999993 109.973 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.535 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.1 OUTLIER -47.65 -50.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 75.200000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.91 -25.68 11.83 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 74.519999999999996 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -51.13 -45.26 61.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 71.409999999999997 110.031 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 62.409999999999997 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.72 -33.3 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 74.450000000000003 110.957 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.04 -48.83 61.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 73.230000000000004 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 5.9 mt -62.64 -24.18 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 72.0 109.292 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -61.18 -49.47 77.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 74.340000000000003 109.313 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 -3.22 56.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 71.129999999999995 110.975 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.69 15.99 21.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 75.209999999999994 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.461 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -93.41 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 62.210000000000001 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.9 134.65 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.1 tp60 -37.88 -55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 74.140000000000001 110.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -38.58 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 63.409999999999997 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.1 OUTLIER -48.37 -30.43 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 63.240000000000002 109.271 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.461 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.7 -67.51 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 72.140000000000001 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.44 HD23 ' CD2' ' A' ' 51' ' ' LEU . 65.7 mt -39.4 -53.21 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 72.329999999999998 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -55.72 -73.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 75.530000000000001 110.978 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 mt -37.59 -61.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.307 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.452 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -42.03 -70.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 91.6 m-70 -52.76 -20.26 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 109.617 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.496 ' CE ' ' OE1' ' A' ' 40' ' ' GLN . 0.2 OUTLIER -78.77 -34.2 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 74.310000000000002 109.276 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.7 mt -71.07 -17.8 62.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mmtt -39.41 -30.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 72.129999999999995 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' O ' ' A' ' 30' ' ' LEU . 3.1 m -112.46 95.45 31.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 51.229999999999997 110.407 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 164.01 34.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.513 1.796 . . . . 73.230000000000004 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.479 ' CG ' ' SG ' ' A' ' 37' ' ' CYS . 4.5 mmm180 -102.08 161.31 23.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.439999999999998 110.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 75.010000000000005 111.015 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.29 12.57 35.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.089 . . . . 64.420000000000002 110.97 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -86.31 128.48 34.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 73.019999999999996 108.292 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.22 2.73 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.33 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -101.08 -27.0 7.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 61.310000000000002 111.023 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 8.0 tt0 -83.06 -60.17 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 72.109999999999999 110.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.5 t0 -50.24 -43.21 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.451 ' CD1' ' HA ' ' A' ' 70' ' ' ALA . 21.6 tp -59.72 -56.12 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 74.420000000000002 109.27 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.528 ' CD1' ' CD1' ' A' ' 15' ' ' LEU . 12.1 tp -54.46 -30.69 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.2 t-160 -55.6 -32.69 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 109.617 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -82.33 -23.66 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 65.120000000000005 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.572 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 74.6 mtp -87.25 -17.96 31.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 74.400000000000006 111.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 21.2 t -86.49 -49.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 74.349999999999994 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -42.79 -39.39 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 75.530000000000001 109.3 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.5 mt -61.25 -47.33 86.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 74.319999999999993 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 2.2 mmmp? -42.0 -28.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 65.420000000000002 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.444 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 2.1 mt -93.13 -47.34 7.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 63.210000000000001 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.75 8.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 62.32 111.035 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.0 pt20 -111.17 85.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 75.310000000000002 110.256 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -80.68 -15.53 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -37.16 -35.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 64.25 110.442 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.4 mp0 -86.68 -43.83 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.239999999999995 110.337 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.83 -37.6 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 63.450000000000003 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -62.76 -42.83 99.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.299999999999997 110.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.1 mp -65.33 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 74.040000000000006 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -42.84 -51.68 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.993 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.454 ' HG ' ' CB ' ' A' ' 45' ' ' ALA . 15.6 mt -54.19 -48.95 70.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 73.519999999999996 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -64.11 -12.25 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.140000000000001 110.27 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.22 11.34 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 74.040000000000006 109.302 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -135.67 54.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -64.87 -13.37 56.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.68 52.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 74.200000000000003 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.37 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 61.439999999999998 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.05 -1.79 58.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 72.040000000000006 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.454 ' CG2' ' HB2' ' A' ' 95' ' ' ALA . 6.0 t -88.91 -38.52 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.258 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.465 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -64.18 -36.81 85.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 73.450000000000003 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -76.29 -23.91 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 110.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.493 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -91.78 -20.76 21.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 72.019999999999996 109.284 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.567 HG11 ' CE3' ' A' ' 77' ' ' TRP . 6.6 t -85.93 -6.89 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 73.200000000000003 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.539 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.95 -35.04 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 109.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.474 ' HD2' ' CB ' ' A' ' 82' ' ' SER . 9.3 ptt-85 -98.55 -6.82 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp-100 -88.79 -44.79 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.356 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.5 m-90 -108.33 -59.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 107.987 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.539 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -54.79 -45.13 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 75.010000000000005 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 77.12 42.47 19.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 111.036 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.5 m -61.28 -139.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 71.439999999999998 109.26 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.422 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.2 t0 -103.85 17.61 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 75.450000000000003 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.474 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 49.1 p 37.08 59.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.98 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 t -45.86 -24.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.082 . . . . 74.239999999999995 110.368 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' SER . 4.6 mt-10 -95.62 -176.65 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 110.235 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' CB ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -98.02 174.68 3.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.297 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 85' ' ' ASP . 18.4 Cg_endo -74.98 82.55 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 71.239999999999995 111.001 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.54 175.3 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 72.450000000000003 110.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -114.79 141.74 27.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 64.25 110.301 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.03 163.27 35.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 73.219999999999999 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 73.430000000000007 110.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -117.5 27.44 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.268 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.25 -38.32 76.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 72.519999999999996 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.457 ' OG ' ' N ' ' A' ' 121' ' ' ALA . 6.7 t -101.32 -20.42 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.340000000000003 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.611 ' CD1' ' NE ' ' A' ' 98' ' ' ARG . 2.3 t90 -76.94 -63.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.010000000000005 108.011 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.454 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . . . -41.75 -52.88 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 74.140000000000001 109.235 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.469 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 9.0 p -61.37 -53.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 75.450000000000003 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.469 ' N ' ' CG1' ' A' ' 96' ' ' VAL . . . -50.87 -26.7 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 73.310000000000002 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.611 ' NE ' ' CD1' ' A' ' 94' ' ' TRP . 16.2 mtt180 -88.01 -31.77 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 72.010000000000005 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.478 ' C ' ' CD2' ' A' ' 99' ' ' LEU . 3.8 tt -66.57 -44.4 82.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.17 -24.46 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 75.329999999999998 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.5 t60 -60.71 -26.75 67.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 73.219999999999999 109.621 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.3 mt -89.24 -35.91 15.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 72.140000000000001 109.251 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.2 -19.99 65.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 74.230000000000004 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.32 -13.41 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.38 -17.87 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.319999999999993 110.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.1 0.65 51.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 74.310000000000002 110.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 32.42 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.461 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 95.9 mt -97.73 -32.53 11.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.319999999999993 109.293 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.3 m -140.87 145.07 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 108.284 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.72 42.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 61.130000000000003 110.989 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.17 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 75.129999999999995 109.347 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 17.5 p -54.95 -34.31 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 73.209999999999994 110.014 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.474 HD13 ' CD ' ' A' ' 6' ' ' PRO . 3.1 mm? -76.24 -36.87 58.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 75.25 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.6 ttp180 -62.2 -24.91 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 110.268 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.613 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -83.58 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 73.049999999999997 109.315 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.461 ' N ' ' OD2' ' A' ' 115' ' ' ASP . 40.2 t -50.03 -38.94 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.278 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.469 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -62.03 -61.93 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 75.030000000000001 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.6 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 2.0 m-85 -46.2 -46.98 17.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 73.540000000000006 111.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.45 ' NE2' ' OD2' ' A' ' 115' ' ' ASP . 85.2 mt-30 -49.94 -56.68 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.9 -14.36 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 54.32 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.457 ' N ' ' OG ' ' A' ' 93' ' ' SER . . . -90.48 -34.63 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.372 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.438 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -75.59 -28.33 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 72.239999999999995 109.272 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -78.58 -29.0 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 110.278 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.441 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -73.72 -45.35 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.5 110.41 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.566 HD23 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -75.48 -30.84 60.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 71.219999999999999 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.438 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 28.8 m -73.33 -47.98 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 74.239999999999995 109.983 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 73.019999999999996 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.456 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -87.9 -7.36 57.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.230000000000004 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 53.23 41.12 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 72.120000000000005 109.252 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.495 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 24.6 t0 -54.61 179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 74.0 109.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -98.25 -4.41 35.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.4 OUTLIER -109.72 10.03 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.448 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.7 tm? -61.1 -68.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.049999999999997 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.448 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -49.19 -33.6 15.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 44.439999999999998 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.68 -35.01 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 72.340000000000003 110.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.601 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 36.4 tp -70.75 -41.5 71.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 75.409999999999997 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.468 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 41.5 mm-40 -62.63 -13.77 35.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 72.439999999999998 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.48 -5.18 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 72.120000000000005 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.29 -46.4 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 70.510000000000005 110.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.571 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.67 -16.24 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 74.040000000000006 109.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 145' ' ' GLY . 45.6 mtm180 -91.67 -58.67 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 73.319999999999993 110.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.65 -22.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 74.420000000000002 109.311 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 14.0 mmp_? -85.52 -78.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 73.319999999999993 110.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.59 -55.48 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 71.430000000000007 108.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.78 67.82 0.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 62.5 110.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.613 ' CZ3' ' OD1' ' A' ' 115' ' ' ASP . 0.2 OUTLIER -150.03 -170.79 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 74.150000000000006 107.99 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.74 61.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 71.430000000000007 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.586 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 9.8 tt -68.14 -34.51 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 75.099999999999994 109.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.468 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -42.57 -30.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 115.02 -9.66 20.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 111.003 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.59 152.32 3.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 70.400000000000006 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.71 10.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 72.530000000000001 111.057 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 87.43 -3.21 86.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 63.299999999999997 111.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t 68.95 36.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 72.030000000000001 109.964 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 7.5 pt -111.9 130.24 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 73.239999999999995 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 72.340000000000003 110.291 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.617 -0.512 . . . . 61.32 109.617 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtm -56.23 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 65.140000000000001 111.049 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.71 113.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.200000000000003 109.326 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t 74.69 37.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 73.0 108.321 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -87.21 133.83 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 74.409999999999997 110.401 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.41 -88.27 1.67 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 111.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.448 ' CD ' HD11 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -74.99 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 72.439999999999998 111.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t 179.85 174.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 70.319999999999993 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -68.93 -50.84 20.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 65.319999999999993 109.318 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.93 -30.01 7.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 73.5 110.981 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.401 ' OG ' ' OH ' ' A' ' 100' ' ' TYR . 38.1 t -47.17 -48.79 23.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 70.310000000000002 110.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.503 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.03 -29.6 67.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -77.72 -35.07 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 74.040000000000006 111.013 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -70.36 -38.36 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.97 -20.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 74.439999999999998 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.464 ' CD1' HD13 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -69.35 -60.99 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 73.140000000000001 109.321 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.12 -12.2 36.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 111.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.91 17.44 20.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 62.43 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -102.93 -75.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 72.0 109.27 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.463 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 175.35 137.93 2.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 110.976 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -43.22 -48.09 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 73.329999999999998 110.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.15 -28.19 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 73.310000000000002 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' N ' ' O ' ' A' ' 19' ' ' GLY . 4.8 tptt -58.99 -25.96 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 74.519999999999996 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -87.76 -54.68 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 75.7 mt -48.62 -41.38 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 73.109999999999999 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -60.79 -78.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 111.012 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 56.0 mt -39.84 -38.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.329999999999998 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -53.5 -57.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 75.519999999999996 109.267 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 94.3 m-70 -62.44 -13.64 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.340000000000003 109.592 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -84.94 -40.42 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 74.340000000000003 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.559 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.3 mt -68.03 -22.0 64.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 71.540000000000006 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 34.5 mmtt -39.34 -31.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 71.510000000000005 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.2 m -115.45 92.07 31.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 73.319999999999993 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.86 42.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 75.019999999999996 111.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.19 158.01 36.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.430000000000007 110.258 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 75.450000000000003 111.035 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.3 22.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 71.549999999999997 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 129.52 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 73.019999999999996 108.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.409 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.64 1.57 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 75.239999999999995 110.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -102.78 -28.01 6.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 73.0 110.997 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.485 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 0.5 OUTLIER -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 75.549999999999997 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.461 ' HB3' ' CD2' ' A' ' 64' ' ' LEU . 8.6 t0 -47.4 -40.24 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.25 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.06 -51.99 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 74.120000000000005 109.342 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 99' ' ' LEU . 7.0 tp -58.8 -32.83 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 72.519999999999996 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -59.41 -21.96 60.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.299999999999997 109.64 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.417 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . . . -88.7 -19.96 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.57 ' HB3' ' CD2' ' A' ' 12' ' ' PHE . 30.9 mtp -98.74 -11.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 72.430000000000007 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.446 ' CG2' ' HG ' ' A' ' 43' ' ' LEU . 98.4 t -86.0 -53.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' VAL . 1.1 mm? -40.15 -49.17 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.446 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.9 mt -50.73 -53.44 31.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 72.319999999999993 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -41.07 -29.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 75.329999999999998 109.288 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.434 ' CD2' HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -88.02 -46.03 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.309 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 119.23 8.51 9.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.466 1.104 . . . . 52.130000000000003 111.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -121.36 83.02 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 73.120000000000005 110.264 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -73.34 -19.43 61.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.72 -37.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.385 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -82.82 -43.86 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 72.129999999999995 110.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.418 ' N ' ' O ' ' A' ' 54' ' ' GLU . . . -47.54 -38.21 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 75.099999999999994 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -61.45 -44.62 96.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 74.010000000000005 110.33 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -60.14 -58.81 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.239999999999995 109.296 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -50.59 -45.2 57.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.310000000000002 109.993 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.417 ' HG ' ' CB ' ' A' ' 45' ' ' ALA . 9.6 mt -55.22 -43.87 74.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 73.329999999999998 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.05 -19.15 64.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 73.239999999999995 110.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.31 -5.26 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 71.040000000000006 109.318 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.461 ' CD2' ' HB3' ' A' ' 41' ' ' ASP . 3.0 mt -117.93 46.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 74.530000000000001 109.335 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.37 -23.12 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 74.109999999999999 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.76 -59.37 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.411 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 0.6 OUTLIER -60.4 133.62 56.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.291 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.59 -12.39 37.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 74.239999999999995 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.506 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 12.4 t -74.71 -23.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.409 ' CA ' HD23 ' A' ' 61' ' ' LEU . . . -64.97 -57.8 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 71.219999999999999 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.411 ' NH1' ' O ' ' A' ' 67' ' ' ASP . 1.4 mpp_? -52.27 -52.61 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 72.420000000000002 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.482 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 1.9 tm? -59.56 -40.57 87.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 74.239999999999995 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.506 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 24.1 t -71.9 -4.59 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 70.25 109.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.485 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.92 -52.45 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 74.340000000000003 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.43 -6.8 57.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.262 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -86.91 -42.2 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 74.140000000000001 110.348 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.792 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.3 m-90 -116.97 -59.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 72.329999999999998 107.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.485 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -20.37 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 62.3 26.11 67.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 111.035 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.478 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 77.1 t -44.98 169.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.310000000000002 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.478 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -83.35 19.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 71.510000000000005 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.465 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 34.7 m -76.22 51.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 73.329999999999998 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -44.54 -22.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 110.417 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' THR . 19.8 pt-20 -38.28 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.409999999999997 110.272 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -58.49 125.16 75.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 63.149999999999999 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.435 ' HA ' ' NH2' ' A' ' 75' ' ' ARG . 18.4 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 74.109999999999999 111.002 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -58.03 116.49 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.140000000000001 110.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -54.1 129.4 58.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 71.129999999999995 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.97 173.11 15.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 74.549999999999997 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 75.019999999999996 111.02 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.455 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 37.4 m-20 -119.86 23.21 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 73.040000000000006 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -45.98 -37.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 74.329999999999998 109.338 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -105.51 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.582 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 2.2 t90 -44.8 -55.46 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 108.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.404 ' HB1' ' CG2' ' A' ' 69' ' ' VAL . . . -49.12 -45.41 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.230000000000004 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.47 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 30.9 t -58.86 -39.65 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.129999999999995 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.501 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -66.42 -63.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 52.25 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.409 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 17.3 mtt180 -50.28 -31.62 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 73.430000000000007 110.316 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 43' ' ' LEU . 3.0 tp -67.23 -51.89 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 72.420000000000002 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.503 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-85 -70.09 -19.01 63.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.407 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 2.0 t60 -59.95 -24.24 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 75.340000000000003 109.585 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -97.33 -30.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 71.019999999999996 109.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 82.4 mt -64.26 -17.65 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.334 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.28 -11.61 59.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 72.140000000000001 109.32 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.67 -20.14 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 64.299999999999997 110.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 13.3 mm-40 -85.0 -19.23 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.510000000000005 110.284 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp 77.52 26.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 64.140000000000001 109.321 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.1 mt -90.63 -34.96 15.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 149.27 48.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.530000000000001 108.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 154.61 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 73.120000000000005 110.961 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.39 44.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.319999999999993 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.7 m -58.07 -26.46 62.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 51.350000000000001 109.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.448 HD11 ' CD ' ' A' ' 6' ' ' PRO . 3.5 mm? -80.71 -61.57 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 74.329999999999998 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.455 ' CZ ' ' SG ' ' A' ' 144' ' ' CYS . 4.9 ttm180 -42.07 -34.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 73.010000000000005 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -68.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 t -46.47 -30.6 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 65.510000000000005 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.05 -49.46 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 71.25 109.28 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.515 ' CG ' ' HB3' ' A' ' 140' ' ' ALA . 1.6 m-85 -58.22 -48.97 78.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.977 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' VAL . 69.4 mt-30 -47.93 -60.63 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 72.219999999999999 110.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.41 -23.93 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 75.230000000000004 110.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.08 -30.77 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 64.420000000000002 109.275 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.501 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 36.1 t -64.2 -31.28 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 63.509999999999998 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' LEU . 20.3 mmt180 -75.47 -62.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 73.129999999999995 110.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -37.95 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.377 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.534 ' O ' ' N ' ' A' ' 129' ' ' ASP . 4.7 mp -88.13 -61.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 74.230000000000004 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.43 ' N ' HD23 ' A' ' 133' ' ' LEU . 46.9 t -38.43 -48.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 110.041 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.6 p -52.72 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 74.409999999999997 110.005 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.608 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.06 5.54 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 72.519999999999996 110.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.9 t0 41.15 37.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 73.25 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.608 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 16.0 t0 -40.32 157.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -78.43 -0.07 27.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.62 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.41 -1.66 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 110.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.535 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -49.66 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 72.140000000000001 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.535 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -45.12 -34.0 4.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 72.329999999999998 110.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.81 -39.36 80.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 65.439999999999998 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.582 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 41.4 tp -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.340000000000003 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.501 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 55.4 mm-40 -69.69 -21.35 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 70.099999999999994 110.28 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.447 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 14.1 t70 -107.24 -2.72 20.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -99.64 -42.99 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 110.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.515 ' HB3' ' CG ' ' A' ' 118' ' ' TYR . . . -59.24 -16.66 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 74.140000000000001 109.32 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 145' ' ' GLY . 13.2 ptp180 -100.67 -44.54 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.519999999999996 110.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . 0.507 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 10.7 t-20 -63.44 -10.15 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.413 ' HA ' ' NE ' ' A' ' 143' ' ' ARG . 15.2 mmp_? -102.07 -40.9 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 72.310000000000002 110.301 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -102.73 -57.57 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 108.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 108.88 70.27 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 110.973 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.577 ' CZ2' ' HB ' ' A' ' 148' ' ' ILE . 0.6 OUTLIER -156.81 -174.77 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.997 -1.112 . . . . 74.439999999999998 107.997 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -109.16 64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.577 ' HB ' ' CZ2' ' A' ' 146' ' ' TRP . 9.5 tt -67.14 -30.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.474 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -67.32 -10.24 48.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 74.420000000000002 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.57 14.85 42.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 74.019999999999996 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.48 151.19 78.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 74.239999999999995 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.34 19.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 75.200000000000003 111.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 80.1 3.13 89.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 61.200000000000003 111.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.4 t 62.36 46.53 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 73.349999999999994 110.042 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.4 pt -127.34 159.5 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 72.019999999999996 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 74.510000000000005 110.27 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.594 -0.521 . . . . 64.439999999999998 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mtp -76.61 131.55 38.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.7 165.42 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 75.209999999999994 109.346 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -121.82 37.39 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 72.030000000000001 108.327 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -130.55 150.25 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 72.129999999999995 110.403 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.53 -84.45 1.75 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 72.319999999999993 111.021 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.445 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -75.03 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 75.140000000000001 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 179.9 177.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.014 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.514 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.3 OUTLIER -69.2 -51.62 17.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -27.85 9.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 72.340000000000003 111.022 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -51.22 -41.06 60.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 74.010000000000005 110.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.53 ' HB1' ' CE1' ' A' ' 100' ' ' TYR . . . -66.96 -36.5 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 64.140000000000001 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -67.62 -35.65 79.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 111.007 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -68.01 -52.71 32.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 109.281 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.3 mt -61.03 -25.0 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 74.430000000000007 109.308 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.431 ' CD2' ' O ' ' A' ' 46' ' ' MET . 0.6 OUTLIER -62.04 -50.61 71.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.508 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -73.97 -18.69 79.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 71.530000000000001 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -81.43 2.74 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 73.519999999999996 109.297 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.444 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -82.64 -69.27 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 169.92 137.15 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 71.030000000000001 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLY . 44.3 tp60 -37.62 -61.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 63.140000000000001 110.337 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.23 -34.53 77.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 63.299999999999997 109.265 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.7 OUTLIER -50.28 -30.48 11.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 72.040000000000006 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.467 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.55 -56.33 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.340000000000003 109.292 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.1 mm? -50.43 -53.29 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 75.209999999999994 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -51.38 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 40.8 mt -39.48 -47.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 62.200000000000003 109.343 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.02 -52.35 58.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 73.329999999999998 109.284 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.26 -13.45 28.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 73.450000000000003 109.618 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.88 -49.99 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 75.400000000000006 109.253 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.57 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.5 OUTLIER -63.72 -13.06 40.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 30.0 mmtt -39.18 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.040000000000006 109.332 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' N ' ' C ' ' A' ' 30' ' ' LEU . 8.9 m -125.94 107.49 25.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.413 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.58 41.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 73.540000000000006 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.428 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 3.4 mmm180 -97.95 161.09 26.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 75.140000000000001 110.336 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 71.439999999999998 110.986 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.8 7.93 37.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.118 . . . . 74.519999999999996 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.08 127.99 36.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.353 -0.981 . . . . 73.140000000000001 108.353 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.26 3.19 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 110.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.69 -25.04 8.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 75.530000000000001 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.508 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 6.6 tt0 -84.85 -54.82 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 71.420000000000002 110.337 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.46 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 17.9 t0 -56.81 -40.9 76.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.4 tp -61.92 -53.18 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 74.129999999999995 109.266 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.456 ' HB2' ' CD2' ' A' ' 99' ' ' LEU . 14.2 tp -58.4 -27.06 63.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 71.540000000000006 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 6.2 t-160 -63.49 -25.35 68.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 109.62 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -88.44 -14.17 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 75.409999999999997 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.568 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 55.7 mtp -98.61 -9.02 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 74.310000000000002 110.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 50' ' ' LYS . 55.2 t -95.44 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 73.530000000000001 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.466 ' CD2' ' HB3' ' A' ' 77' ' ' TRP . 8.0 mp -53.2 -49.53 66.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.549999999999997 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.2 mmmt -45.99 -29.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 75.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.518 ' CD2' ' CD1' ' A' ' 24' ' ' LEU . 1.8 mp -85.12 -50.77 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.64 0.49 6.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 72.329999999999998 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.47 84.99 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 73.120000000000005 110.299 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.457 ' CB ' HD13 ' A' ' 49' ' ' LEU . 1.0 OUTLIER -75.95 -18.22 59.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 110.321 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -40.51 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.374 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.4 mm-40 -93.38 -44.41 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 75.129999999999995 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.03 -39.35 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 75.299999999999997 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.9 mtp180 -64.22 -53.28 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 75.200000000000003 110.32 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.2 mp -49.3 -44.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 72.120000000000005 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.61 -46.14 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.98 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.475 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 7.1 mt -60.04 -30.7 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 70.519999999999996 109.335 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.29 -15.22 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 74.0 110.247 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.56 -1.01 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 109.308 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -121.81 51.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 109.285 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 2.1 mmmm -48.49 -33.59 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.72 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 72.25 109.294 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.492 ' OD1' ' CG2' ' A' ' 69' ' ' VAL . 3.4 t0 -69.19 134.61 49.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.17 -31.86 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.530000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.516 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 1.9 m -57.45 -21.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.475 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -65.59 -47.72 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 72.120000000000005 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.498 ' O ' ' CB ' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -64.27 -55.29 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.9 OUTLIER -54.11 -50.13 67.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 75.230000000000004 109.266 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.576 HG11 ' CE3' ' A' ' 77' ' ' TRP . 42.1 t -58.84 -15.79 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.150000000000006 109.263 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.499 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -75.48 -63.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 5.9 ptt-85 -73.19 -6.21 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 110.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 tp60 -87.72 -44.02 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.0 m-90 -114.22 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.986 -1.116 . . . . 74.230000000000004 107.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.499 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -45.42 -26.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.262 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.45 18.24 78.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 45.409999999999997 110.974 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.6 t -42.92 165.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 71.510000000000005 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.52 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 3.8 t0 -82.23 46.11 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.140000000000001 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 81' ' ' ASP . 90.4 p 33.46 38.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 74.349999999999994 109.98 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASP . 18.6 p -43.99 -25.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.435 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.424 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 6.1 mt-10 -102.3 -164.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.439999999999998 110.262 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 157.36 35.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.340000000000003 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 54.030000000000001 111.057 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.52 118.55 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 110.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.422 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 1.3 mt-10 -60.18 145.26 85.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.46 ' HG2' ' CG1' ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.97 161.27 39.11 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 65.439999999999998 111.007 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.581 1.832 . . . . 73.299999999999997 111.067 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.436 ' N ' ' OD2' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -116.01 20.95 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 73.219999999999999 109.279 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.422 ' CG1' ' HB3' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -39.31 -78.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.530000000000001 109.283 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.42 ' O ' ' C ' ' A' ' 94' ' ' TRP . 4.3 m -70.57 -45.8 64.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.944 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.607 ' CH2' ' HB2' ' A' ' 136' ' ' LEU . 3.4 t90 -39.8 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.948 -1.13 . . . . 73.450000000000003 107.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.33 -56.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 62.399999999999999 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.463 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 24.2 t -47.16 -43.88 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.0 -31.29 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' ALA . 4.5 mtt180 -81.11 -18.71 45.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.510000000000005 110.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.456 ' CD2' ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -82.32 -46.65 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.53 ' CE1' ' HB1' ' A' ' 11' ' ' ALA . 5.3 m-85 -67.36 -20.26 65.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 70.540000000000006 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.11 -31.72 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 75.030000000000001 109.565 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.5 mt -88.92 -29.04 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 74.310000000000002 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 56.1 mt -63.99 -19.69 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 75.150000000000006 109.335 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.89 -10.04 59.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 74.540000000000006 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.67 -20.38 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 75.109999999999999 110.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.51 -16.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.400000000000006 110.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp 77.14 23.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.429 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 15.8 mt -93.3 -36.55 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 72.310000000000002 109.276 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.3 m -138.39 148.94 61.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.230000000000004 108.274 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 74.430000000000007 111.037 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.72 -14.92 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.328 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.5 m -56.98 -37.88 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 75.040000000000006 109.995 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 70.2 mt -70.32 -44.75 67.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 74.420000000000002 109.336 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.558 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.4 ttp180 -47.98 -23.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 71.299999999999997 110.278 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.589 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -84.87 -70.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.5 109.247 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 18.3 t -40.82 -30.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 75.510000000000005 109.294 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.433 ' N ' ' C ' ' A' ' 115' ' ' ASP . . . -72.07 -55.3 7.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 64.439999999999998 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.558 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -54.45 -44.34 72.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 65.310000000000002 110.985 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.528 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 62.5 mt-30 -54.39 -47.61 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 110.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.83 -12.77 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -94.97 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 73.140000000000001 109.281 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.528 ' CG1' ' HA ' ' A' ' 119' ' ' GLN . 0.9 OUTLIER -52.15 -28.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 61.229999999999997 109.285 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -65.48 -35.13 79.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 73.430000000000007 110.254 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -83.26 -33.29 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 110.382 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.462 ' CD1' ' CZ3' ' A' ' 94' ' ' TRP . 3.6 mt -74.37 -30.13 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.200000000000003 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 t -78.63 -41.11 32.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.995 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -59.12 -40.03 84.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 74.400000000000006 110.009 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 3.2 ptt85 -101.86 4.74 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.409999999999997 110.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 130' ' ' ASP . 4.0 m-20 40.19 48.14 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 73.519999999999996 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -47.51 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 74.230000000000004 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -87.75 0.69 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 72.219999999999999 109.637 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -119.88 4.11 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 74.200000000000003 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.507 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 0.9 OUTLIER -54.11 -65.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 54.219999999999999 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.507 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -51.77 -31.45 30.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 74.349999999999994 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.87 -32.66 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 73.219999999999999 110.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.607 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 37.2 tp -73.23 -44.75 59.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.049999999999997 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.474 ' CD ' ' CG2' ' A' ' 122' ' ' VAL . 6.8 mm-40 -64.96 -13.74 58.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 75.140000000000001 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.3 -15.35 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 63.549999999999997 109.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -92.29 -58.44 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.478 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 70.099999999999994 109.291 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 145' ' ' GLY . 55.8 mtm180 -86.29 -59.47 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.299 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.94 -22.64 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.109999999999999 109.328 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.5 mmp_? -83.97 -78.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.25 -56.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 60.409999999999997 108.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 103.13 64.93 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 73.299999999999997 110.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -148.58 -168.6 3.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.005 -1.109 . . . . 75.510000000000005 108.005 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.45 63.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 73.400000000000006 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.601 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.1 tt -62.62 -40.2 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 72.319999999999993 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -48.6 -26.9 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.79 20.12 10.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 63.25 111.034 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.435 ' OD2' ' NH1' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -51.8 164.69 0.52 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 72.540000000000006 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.07 21.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 74.129999999999995 111.035 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 77.98 22.24 69.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 75.219999999999999 110.972 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.4 p 51.77 48.97 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 72.450000000000003 109.976 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.35 158.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 73.510000000000005 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 156' ' ' ARG . 2.8 ppt_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 74.219999999999999 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.567 -0.531 . . . . 70.430000000000007 109.567 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -38.56 135.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 74.439999999999998 111.008 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.56 125.55 30.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 74.209999999999994 109.302 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.72 174.6 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.400000000000006 108.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p -113.89 13.27 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 63.439999999999998 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.87 -86.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 54.310000000000002 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.519 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.03 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 72.329999999999998 111.027 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 81.8 p -179.69 -179.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 53.549999999999997 109.972 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.529 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -70.73 -50.58 12.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 64.239999999999995 109.278 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -38.46 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 70.439999999999998 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 10.7 t -40.96 -45.23 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 65.530000000000001 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.561 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -61.64 -45.52 93.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 70.209999999999994 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.729 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -57.59 -34.86 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 74.200000000000003 111.047 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.28 -52.34 48.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 65.129999999999995 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 17.0 mt -61.77 -20.07 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 71.219999999999999 109.311 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.497 ' CD2' ' O ' ' A' ' 46' ' ' MET . 1.2 tp -71.83 -41.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 73.329999999999998 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.55 1.94 80.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 55.340000000000003 111.025 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.75 6.78 21.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 71.319999999999993 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.46 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -82.54 -63.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 158.82 135.05 1.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 65.439999999999998 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.5 tp60 -36.76 -63.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 54.009999999999998 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -37.47 76.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 73.129999999999995 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.466 ' NZ ' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -50.12 -30.04 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 75.299999999999997 109.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' N ' HD12 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.43 -57.74 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 73.329999999999998 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.9 mm? -48.91 -54.02 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 72.450000000000003 109.308 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.466 ' CD2' ' NZ ' ' A' ' 22' ' ' LYS . 1.9 t80 -52.7 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 74.319999999999993 111.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' LYS . 58.6 mt -38.98 -60.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 72.219999999999999 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.466 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -45.38 -48.32 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 75.209999999999994 109.311 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 81.3 m-70 -62.39 -32.76 73.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.420000000000002 109.629 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.3 tttp -72.71 -31.99 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 73.329999999999998 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.532 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.7 mt -73.08 -20.95 60.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 75.349999999999994 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.446 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 8.3 mmtt -39.29 -30.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 74.099999999999994 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 m -108.56 100.75 39.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 71.340000000000003 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.57 31.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 75.120000000000005 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' NE ' ' CA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -114.24 166.97 10.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 74.040000000000006 110.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.92 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 72.340000000000003 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.02 15.19 36.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 75.340000000000003 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 16.0 p -67.98 123.74 21.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.279 -1.008 . . . . 74.439999999999998 108.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.65 0.39 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -116.47 -33.06 1.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 63.219999999999999 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.3 tt0 -74.59 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 75.040000000000006 110.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 3.4 t70 -53.51 -36.75 62.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 73.0 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 4.7 tt -61.34 -57.31 12.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 73.420000000000002 109.289 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.469 HD21 ' CG2' ' A' ' 47' ' ' VAL . 1.7 tt -55.72 -30.09 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 73.120000000000005 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.532 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 6.0 t-160 -56.05 -31.17 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 109.545 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.464 ' CB ' HD23 ' A' ' 61' ' ' LEU . . . -83.74 -26.29 29.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 73.140000000000001 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.554 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 75.9 mtp -80.19 -12.06 59.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 73.239999999999995 110.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.469 ' CG2' HD21 ' A' ' 43' ' ' LEU . 97.0 t -95.17 -51.19 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.309 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -40.35 -48.98 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 72.209999999999994 109.294 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 6.0 mp -53.66 -50.49 65.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.219999999999999 109.282 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmmt -51.43 -24.79 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.466 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 9.4 mt -87.12 -43.64 12.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 72.530000000000001 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.56 15.42 8.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 75.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.67 80.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 75.340000000000003 110.302 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.9 pt-20 -73.48 -18.4 61.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 73.109999999999999 110.256 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.26 -34.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 74.129999999999995 110.368 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 12.1 mp0 -86.29 -45.61 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.430000000000007 110.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.4 ' N ' ' O ' ' A' ' 54' ' ' GLU . . . -44.83 -41.0 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 74.310000000000002 109.316 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -60.19 -40.55 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 75.120000000000005 110.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -63.35 -59.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 73.219999999999999 109.295 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -49.69 -52.4 31.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.140000000000001 110.002 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.504 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 8.5 mt -56.19 -42.01 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.129999999999995 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.39 -15.06 60.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 74.030000000000001 110.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' ILE . . . -88.53 12.82 13.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 73.319999999999993 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.466 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 4.4 mt -125.13 53.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -58.65 -17.36 21.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.200000000000003 109.282 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.05 -56.15 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 73.209999999999994 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -73.85 131.35 41.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 72.25 109.328 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.24 -5.06 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' O ' ' N ' ' A' ' 72' ' ' LEU . 86.3 t -90.51 -53.47 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.504 ' O ' ' CD2' ' A' ' 61' ' ' LEU . . . -45.8 -28.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 74.099999999999994 109.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -40.57 38.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 64.439999999999998 110.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.504 ' CD2' ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -72.79 -10.84 60.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 75.299999999999997 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.516 HG12 ' CE3' ' A' ' 77' ' ' TRP . 3.9 t -91.85 -5.62 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.566 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.67 -35.2 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 65.310000000000002 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.504 ' NH2' ' CD2' ' A' ' 72' ' ' LEU . 7.5 ptt-85 -99.12 -5.75 29.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 72.409999999999997 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.563 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -89.33 -45.79 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 72.439999999999998 110.306 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.729 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.4 m-90 -108.34 -61.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 73.140000000000001 107.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.566 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -48.35 -23.89 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 74.230000000000004 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 72.79 19.41 79.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 111.022 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.5 t -42.46 165.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 72.420000000000002 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.92 45.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.010000000000005 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 81' ' ' ASP . 91.1 p 33.66 37.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 74.519999999999996 109.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -39.97 -27.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.420000000000002 110.423 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 82' ' ' SER . 3.9 mt-10 -84.35 -161.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 74.409999999999997 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.93 157.76 36.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 81.05 2.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 54.439999999999998 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -155.86 135.22 12.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 70.010000000000005 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -79.4 140.03 55.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 71.040000000000006 110.331 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.467 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 160.4 40.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 73.430000000000007 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 75.439999999999998 111.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.444 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.1 OUTLIER -118.33 27.02 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 75.439999999999998 109.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -47.67 -78.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 75.129999999999995 109.276 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 94' ' ' TRP . 11.1 t -65.67 -46.62 78.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 72.439999999999998 110.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.617 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 4.2 t90 -41.33 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 75.129999999999995 108.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.8 -55.41 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 72.519999999999996 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.437 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 23.1 t -47.84 -40.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 71.430000000000007 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -71.75 -29.06 64.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.157 . . . . 75.120000000000005 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.517 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 5.2 mmt180 -75.03 -22.56 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.25 110.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.474 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 3.5 tt -82.18 -52.26 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 72.219999999999999 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.561 ' CE1' ' HB3' ' A' ' 11' ' ' ALA . 9.2 m-85 -60.4 -17.88 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.400000000000006 110.974 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.567 ' CD2' HD23 ' A' ' 102' ' ' LEU . 1.1 t60 -67.92 -26.51 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.109999999999999 109.612 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.567 HD23 ' CD2' ' A' ' 101' ' ' HIS . 0.8 OUTLIER -92.76 -30.78 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 72.099999999999994 109.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 15.1 mt -62.96 -25.92 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 73.549999999999997 109.302 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.97 -9.89 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.46 -19.84 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 110.339 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.68 -18.59 26.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 110.296 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm 78.42 31.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.46 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 33.7 mt -102.73 -36.53 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 72.310000000000002 109.302 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 3.2 m -131.55 145.23 56.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 64.420000000000002 108.297 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.23 20.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 64.230000000000004 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.95 -10.24 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 74.340000000000003 109.249 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -64.08 -34.9 79.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.87 -43.72 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 74.519999999999996 109.285 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -49.78 -24.27 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 72.099999999999994 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.473 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 1.4 m-20 -84.37 -71.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.150000000000006 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.3 t -39.61 -34.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 74.040000000000006 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -69.39 -55.18 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.303 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.587 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.32 -46.95 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 73.7 mt-30 -48.23 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 71.219999999999999 110.313 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.45 -21.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 110.288 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -81.71 -42.97 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 71.349999999999994 109.295 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.412 ' N ' HD22 ' A' ' 136' ' ' LEU . 1.3 m -66.01 -22.85 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.420000000000002 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.62 -69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 75.510000000000005 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -41.47 -27.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 73.430000000000007 110.359 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.485 HD11 ' CE3' ' A' ' 94' ' ' TRP . 6.4 mt -83.97 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 72.400000000000006 109.251 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.413 ' C ' ' O ' ' A' ' 125' ' ' LEU . 7.2 t -37.24 -39.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 74.409999999999997 110.014 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -60.67 -56.84 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 75.230000000000004 109.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.431 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -81.84 5.26 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 110.312 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.0 t0 43.6 38.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 74.540000000000006 109.304 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.431 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 15.5 t0 -41.3 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.29 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -81.46 -1.98 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 109.592 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -2.56 14.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 72.239999999999995 110.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.496 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.97 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 71.519999999999996 109.329 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.496 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -47.31 -32.77 7.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 74.120000000000005 111.013 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.47 -34.71 74.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 72.329999999999998 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.617 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 30.9 tp -69.8 -40.46 75.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.266 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.469 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 38.3 mm-40 -66.17 -17.95 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.019999999999996 110.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -98.51 -8.04 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 73.409999999999997 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.427 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -98.3 -53.08 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 72.230000000000004 110.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.501 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -57.28 -17.26 11.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 55.219999999999999 109.307 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.7 mtm180 -93.82 -58.83 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 73.340000000000003 110.331 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.78 -20.28 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 73.409999999999997 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 139' ' ' GLU . 9.2 mmp_? -84.62 -73.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 74.439999999999998 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -71.8 -56.24 6.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 71.319999999999993 108.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 105.0 64.31 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.576 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -146.43 -169.89 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 73.530000000000001 107.997 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.34 66.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 60.530000000000001 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.573 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 7.8 tt -70.15 -38.38 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.310000000000002 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -48.8 -23.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 72.239999999999995 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 87.97 28.35 23.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 73.129999999999995 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.601 ' CB ' ' CD1' ' A' ' 155' ' ' ILE . 0.5 OUTLIER -76.98 169.63 20.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 73.140000000000001 109.343 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 75.349999999999994 110.956 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.38 -52.9 4.54 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.479 1.112 . . . . 62.420000000000002 111.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.0 t -76.13 58.0 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 34.439999999999998 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.601 ' CD1' ' CB ' ' A' ' 151' ' ' ASP . 2.8 mt -84.6 156.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.285 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.334 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.606 -0.516 . . . . 65.530000000000001 109.606 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt -75.32 -177.41 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 75.120000000000005 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.08 -171.19 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 62.520000000000003 109.341 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 4' ' ' THR . 33.6 m -124.5 84.81 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.540000000000006 108.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 3' ' ' CYS . 12.6 p -150.64 174.84 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 74.310000000000002 110.393 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.76 -95.8 1.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 74.239999999999995 110.998 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.98 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 75.420000000000002 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t 179.38 177.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 74.200000000000003 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.498 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.5 OUTLIER -66.57 -53.14 31.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.329999999999998 109.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 -27.31 10.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.329999999999998 111.048 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.411 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 10.0 t -49.77 -46.35 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 71.340000000000003 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -64.23 -32.34 73.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 62.420000000000002 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -65.08 -34.17 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.019999999999996 110.994 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.19 -35.15 71.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.47 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 9.7 mt -72.92 -17.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.432 ' CD1' HD11 ' A' ' 43' ' ' LEU . 1.4 mt -71.14 -52.27 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.129999999999995 109.256 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.35 -2.14 58.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.55 1.156 . . . . 71.329999999999998 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.95 -23.89 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 73.349999999999994 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.443 ' HB3' ' CD2' ' A' ' 108' ' ' LEU . . . -58.8 -66.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 65.420000000000002 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.5 139.77 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.952 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -39.79 -64.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 64.319999999999993 110.326 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.52 -24.2 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 72.319999999999993 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.488 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.2 tptt -63.78 -17.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 74.25 109.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.446 ' HG ' ' O ' ' A' ' 19' ' ' GLY . 1.6 mt -91.57 -47.64 7.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.420000000000002 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 51' ' ' LEU . 76.6 mt -59.17 -51.08 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 74.5 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -51.64 -61.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 73.409999999999997 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.522 HD21 ' CZ ' ' A' ' 25' ' ' TYR . 42.7 mt -54.48 -40.41 68.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 73.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tmmt? -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 75.099999999999994 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.45 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 88.3 m-70 -75.19 -0.66 20.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 75.049999999999997 109.633 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.402 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 3.0 tptt -94.98 -41.91 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 74.430000000000007 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.52 ' CD2' ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -77.49 -11.48 59.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.420000000000002 109.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 12.2 mmtt -37.12 -33.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 75.129999999999995 109.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -118.4 120.41 32.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 71.040000000000006 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.33 37.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 63.140000000000001 111.031 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -110.04 162.74 19.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 110.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 74.299999999999997 111.002 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.7 29.37 9.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 71.040000000000006 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 125.34 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.323 -0.991 . . . . 73.5 108.323 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.68 2.22 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -105.34 -24.57 7.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.105 . . . . 44.509999999999998 111.025 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.431 ' O ' ' CD1' ' A' ' 30' ' ' LEU . 3.2 tt0 -82.87 -53.26 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 75.109999999999999 110.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.494 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.0 t0 -59.7 -40.94 89.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.452 ' CD2' HG21 ' A' ' 73' ' ' VAL . 1.8 tt -62.01 -52.33 64.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 75.109999999999999 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.451 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 5.7 tp -57.88 -28.95 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 74.109999999999999 109.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.517 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.7 t-160 -61.25 -27.49 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.581 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.465 ' CB ' ' HG ' ' A' ' 61' ' ' LEU . . . -89.55 -13.94 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 74.010000000000005 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.454 ' SD ' ' CD1' ' A' ' 99' ' ' LEU . 49.4 mtp -98.16 -7.92 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 73.140000000000001 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.453 ' O ' ' N ' ' A' ' 50' ' ' LYS . 50.8 t -95.24 -53.26 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 74.299999999999997 109.269 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -41.32 -41.8 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 71.540000000000006 109.317 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 52' ' ' GLY . 1.2 mp -60.25 -48.55 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 72.120000000000005 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' N ' ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -41.29 -29.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 72.25 109.293 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.459 ' CD1' HD23 ' A' ' 24' ' ' LEU . 2.8 mt -97.36 -37.67 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 71.439999999999998 109.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 111.75 19.19 7.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -116.56 59.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 73.299999999999997 110.305 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.2 pt-20 -61.74 -20.26 63.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 74.340000000000003 110.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.86 -44.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 61.229999999999997 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.9 mp0 -79.58 -41.13 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 72.519999999999996 110.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -47.78 -33.32 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 53.310000000000002 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.13 -36.52 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 75.230000000000004 110.266 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.0 mp -67.77 -51.03 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 73.310000000000002 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 1.4 m -56.13 -51.08 69.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 75.099999999999994 109.973 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.465 ' HG ' ' CB ' ' A' ' 45' ' ' ALA . 11.6 mt -50.73 -43.44 58.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 63.329999999999998 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.98 -29.61 70.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 110.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -65.32 -12.57 53.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 75.200000000000003 109.285 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.494 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.29 48.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.450000000000003 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.3 -15.8 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.306 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.77 -25.34 26.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 72.439999999999998 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.3 110.33 21.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 109.268 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -68.79 -8.69 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.342 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.477 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 0.9 OUTLIER -83.12 -31.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 75.510000000000005 109.257 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.46 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -68.04 -69.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 64.25 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.454 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -50.23 -21.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 72.109999999999999 110.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.476 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.2 OUTLIER -82.36 -34.06 28.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 74.219999999999999 109.337 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.522 HG12 ' CE3' ' A' ' 77' ' ' TRP . 4.8 t -73.71 -6.79 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.140000000000001 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.537 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -83.55 -36.27 24.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 64.530000000000001 109.296 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -97.92 -6.14 32.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 74.340000000000003 110.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.52 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 4.4 tp-100 -89.4 -44.91 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.230000000000004 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.757 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.4 m-90 -108.9 -59.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 72.25 107.967 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.537 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -42.43 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 74.51 41.95 34.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 64.310000000000002 110.969 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 79' ' ' GLY . 23.2 m -61.09 -140.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 74.230000000000004 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.425 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.3 t0 -105.13 18.48 22.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.319 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.47 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 45.5 p 36.98 57.9 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 64.299999999999997 109.954 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.4 p -44.69 -25.34 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 73.439999999999998 110.43 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -88.35 -173.05 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 110.264 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 171.98 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 71.349999999999994 109.277 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.98 3.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 74.120000000000005 111.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -153.42 121.31 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 75.299999999999997 110.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.469 ' HG2' ' CG1' ' A' ' 92' ' ' VAL . 2.7 mt-10 -60.46 147.47 82.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 64.140000000000001 110.298 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.52 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.02 164.66 32.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 73.010000000000005 110.984 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.04 10.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 75.109999999999999 111.055 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.477 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 44.1 m-20 -119.23 26.94 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.469 ' CG1' ' HG2' ' A' ' 88' ' ' GLU . 0.0 OUTLIER -43.82 -79.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 74.040000000000006 109.32 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 94' ' ' TRP . 58.8 m -68.34 -47.67 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.209999999999994 109.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.609 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.0 t90 -40.16 -68.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 73.430000000000007 108.01 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.414 ' O ' ' N ' ' A' ' 99' ' ' LEU . . . -39.73 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 70.409999999999997 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . . . . . . . . . 22.0 t -48.85 -44.52 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 63.439999999999998 109.323 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -66.89 -30.15 70.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.230000000000004 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.719 ' NH2' ' HE2' ' A' ' 139' ' ' GLU . 55.4 mtt180 -80.43 -22.82 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 110.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.454 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 5.3 tt -81.97 -48.15 11.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 75.219999999999999 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.573 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.9 m-85 -66.73 -27.77 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 73.140000000000001 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.6 t60 -53.8 -29.15 39.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 73.200000000000003 109.61 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 1.7 mt -87.85 -40.52 13.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 74.140000000000001 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 96.0 mt -61.81 -14.58 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 109.319 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.539 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -74.85 -23.03 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 74.209999999999994 109.28 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.85 -20.21 16.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' ' HG ' ' A' ' 108' ' ' LEU . 67.3 mm-40 -79.5 -8.76 59.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 75.400000000000006 110.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 67.83 20.22 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.275 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.462 ' HG ' ' CB ' ' A' ' 106' ' ' GLU . 35.2 mt -91.58 -37.82 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.030000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.47 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.6 m -137.03 148.73 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.510000000000005 108.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.93 25.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 63.210000000000001 111.035 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.83 -4.99 54.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 73.030000000000001 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 16.1 m -75.82 -8.02 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 110.002 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.9 mt -100.62 -27.04 13.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 71.409999999999997 109.262 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.559 ' HG2' ' CE2' ' A' ' 118' ' ' TYR . 13.0 ttm180 -73.5 -28.15 61.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 73.310000000000002 110.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 2.0 p30 -77.81 -50.57 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 53.299999999999997 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.3 t -61.71 -34.48 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.430000000000007 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.55 90.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 74.019999999999996 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.559 ' CE2' ' HG2' ' A' ' 114' ' ' ARG . 2.8 m-85 -65.77 -43.59 88.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 63.549999999999997 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 84.2 mt-30 -52.94 -50.22 64.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.519999999999996 110.32 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . 0.427 ' HB3' ' NH2' ' A' ' 123' ' ' ARG . 49.2 mt-10 -64.22 -10.75 25.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 110.361 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -96.57 -29.08 14.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 72.109999999999999 109.336 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.422 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -82.07 -29.07 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 64.25 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.83 -21.06 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.327 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.548 ' N ' ' CD ' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -82.62 -40.02 21.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 75.420000000000002 110.398 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.566 HD23 ' CE3' ' A' ' 94' ' ' TRP . 4.8 mp -80.67 -36.52 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 75.530000000000001 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 29.7 t -68.09 -37.84 81.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 t -63.99 -43.88 94.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 73.209999999999994 109.986 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -89.94 -5.27 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 75.150000000000006 110.313 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 45.1 t0 54.74 43.38 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 74.219999999999999 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 20.3 t0 -52.13 177.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 75.25 109.276 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -98.24 2.37 48.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.200000000000003 109.6 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.2 -3.26 12.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 73.219999999999999 110.306 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.463 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.25 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 72.129999999999995 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.463 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -48.6 -34.2 13.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 72.120000000000005 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.05 -32.86 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 73.5 110.317 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.609 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 32.9 tp -72.08 -41.8 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 73.010000000000005 109.263 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.485 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 40.6 mm-40 -62.81 -13.57 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 73.219999999999999 110.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -106.66 -4.81 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.719 ' HE2' ' NH2' ' A' ' 98' ' ' ARG . 8.6 tt0 -99.33 -45.32 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 53.439999999999998 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.556 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.5 -13.99 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 72.319999999999993 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' GLY . 28.0 mtm180 -92.92 -61.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 75.239999999999995 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.55 -22.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.239999999999995 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.441 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.6 mmp_? -84.7 -78.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 75.319999999999993 110.328 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.49 -55.21 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.519999999999996 108.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.5 69.01 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 73.230000000000004 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.58 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.13 -170.57 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.976 -1.12 . . . . 72.200000000000003 107.976 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.49 63.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.278 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.58 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.8 tt -72.35 -18.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 75.430000000000007 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.485 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -71.23 -6.92 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 72.420000000000002 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.72 56.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 62.100000000000001 111.047 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 155' ' ' ILE . 6.1 m-20 -49.99 149.79 4.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 71.310000000000002 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.74 8.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 74.530000000000001 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.56 -45.43 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.56 1.163 . . . . 53.420000000000002 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 t -75.22 62.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 75.400000000000006 110.019 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.469 ' CD1' ' HB3' ' A' ' 151' ' ' ASP . 1.3 pp -151.27 164.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 73.150000000000006 109.333 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 75.030000000000001 110.339 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 0' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.566 -0.531 . . . . 64.239999999999995 109.566 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt 65.84 29.0 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 110.983 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.77 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 73.010000000000005 109.341 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.32 44.22 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 74.510000000000005 108.295 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -95.21 153.93 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 75.409999999999997 110.423 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.94 -83.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 63.100000000000001 111.026 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -168.14 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.523 1.801 . . . . 73.409999999999997 110.991 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.41 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.0 OUTLIER -170.64 177.83 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 71.349999999999994 110.02 -179.98 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.501 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -69.09 -52.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -29.32 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 71.239999999999995 111.019 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 t -47.71 -45.47 28.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 74.319999999999993 109.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.416 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -62.89 -30.74 71.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 63.200000000000003 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -68.78 -36.89 78.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.439999999999998 111.044 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.08 -35.16 71.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 71.530000000000001 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 9.8 mt -70.66 -26.06 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 74.430000000000007 109.317 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.473 ' CD1' HD21 ' A' ' 43' ' ' LEU . 1.6 mt -61.11 -50.78 71.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 74.400000000000006 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.3 58.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 71.140000000000001 110.964 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.69 15.34 28.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.777 . . . . 74.450000000000003 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -99.67 -61.2 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 73.129999999999995 109.315 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 154.96 132.77 1.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 72.010000000000005 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' GLY . 40.8 tp60 -37.29 -56.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 75.120000000000005 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.29 -40.73 96.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.049999999999997 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.2 tptt -47.49 -31.59 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 75.549999999999997 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.47 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -52.1 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 75.450000000000003 109.3 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.6 mm? -53.52 -50.13 66.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 64.319999999999993 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.41 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.420000000000002 110.99 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.544 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 33.8 mt -42.94 -43.3 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 73.049999999999997 109.27 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.464 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -53.49 -52.79 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 72.25 109.269 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.9 m-70 -62.8 -12.97 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.609 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -86.68 -50.62 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.571 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.64 -13.27 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 71.430000000000007 109.321 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 21.0 mmtt -38.78 -40.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 72.439999999999998 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' NH1' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -119.91 120.55 30.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.319999999999993 110.443 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 74.400000000000006 111.012 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 7.6 mmm180 -103.34 163.43 17.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 73.209999999999994 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 97.62 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 63.119999999999997 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.74 22.76 15.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 111.027 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 125.19 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.278 -1.008 . . . . 73.209999999999994 108.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.91 0.63 6.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.52 -28.41 7.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 110.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 5.0 tt0 -78.89 -56.78 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 75.329999999999998 110.341 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.466 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 6.3 t0 -53.14 -40.16 64.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.475 ' CD1' HG13 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -63.4 -54.74 31.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 72.310000000000002 109.251 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.473 HD21 ' CD1' ' A' ' 15' ' ' LEU . 1.1 tt -54.34 -27.62 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 75.120000000000005 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.571 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 9.0 t-160 -60.54 -33.83 73.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 74.150000000000006 109.61 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -78.49 -29.16 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 74.420000000000002 109.255 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.444 ' HE2' ' CD2' ' A' ' 12' ' ' PHE . 84.9 mtp -83.64 -9.47 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.329999999999998 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.468 HG23 ' CD2' ' A' ' 43' ' ' LEU . 14.2 t -95.23 -53.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 70.010000000000005 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -40.27 -45.39 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 74.129999999999995 109.307 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 54' ' ' GLU . 12.8 mt -55.6 -49.44 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 72.319999999999993 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' A' ' 47' ' ' VAL . 1.9 mmmp? -45.33 -26.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 109.322 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.432 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -92.07 -43.61 9.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 109.303 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.64 16.86 6.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -126.06 83.24 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 72.129999999999995 110.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -77.34 -17.43 58.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 74.540000000000006 110.302 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.94 -34.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 110.354 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ILE . 4.2 mp0 -89.51 -45.14 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.424 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.16 -41.01 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.140000000000001 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -57.56 -46.2 84.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.120000000000005 110.334 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mp -59.21 -61.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 73.219999999999999 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.31 -53.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 109.981 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.433 ' CD2' ' O ' ' A' ' 70' ' ' ALA . 2.6 mt -56.62 -47.13 80.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' ILE . 41.6 tp10 -64.21 -15.15 59.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.120000000000005 110.286 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.73 17.26 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 75.430000000000007 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.486 ' HB2' ' CB ' ' A' ' 70' ' ' ALA . 2.8 mt -138.31 54.49 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.329999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.405 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 9.1 mmmm -67.88 -9.86 48.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 -23.41 36.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 72.310000000000002 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.21 139.27 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 64.230000000000004 109.316 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.408 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . . . -91.46 -18.35 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 71.530000000000001 109.3 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG13 ' CD1' ' A' ' 42' ' ' LEU . 0.3 OUTLIER -77.52 -17.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 75.109999999999999 109.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.486 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -69.11 -64.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 63.25 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.408 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -56.75 -35.9 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 75.25 110.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.497 ' C ' ' CD1' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.7 -31.11 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.150000000000006 109.333 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.452 HG13 ' CE3' ' A' ' 77' ' ' TRP . 10.3 t -76.59 -5.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 72.439999999999998 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.507 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -86.05 -37.76 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 72.129999999999995 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 82' ' ' SER . 6.9 ptt-85 -98.49 -8.09 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.040000000000006 110.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 tp-100 -88.04 -43.64 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 73.409999999999997 110.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.776 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 20.5 m-90 -109.6 -58.23 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 108.018 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.507 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -59.49 -32.97 70.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 109.326 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.44 35.72 90.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.448 1.093 . . . . 62.020000000000003 111.032 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.475 HG23 ' CB ' ' A' ' 74' ' ' ALA . 15.8 m -53.78 -171.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 75.340000000000003 109.316 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.35 17.1 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 75.019999999999996 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.496 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 54.5 m -75.79 55.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 64.239999999999995 109.955 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -60.0 -4.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 64.519999999999996 110.411 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' O ' ' O ' ' A' ' 83' ' ' THR . 4.6 mm-40 -48.58 -171.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 110.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' CG ' ' CG ' ' A' ' 87' ' ' GLU . 20.9 t0 -39.42 100.04 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 72.430000000000007 109.246 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -16.63 20.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 75.129999999999995 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' CG ' ' CG ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -47.12 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 72.540000000000006 110.292 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.41 ' O ' ' CD ' ' A' ' 87' ' ' GLU . 1.8 mt-10 -86.98 140.22 32.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 110.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.409 ' HB2' ' HD2' ' A' ' 90' ' ' PRO . 18.4 Cg_endo -74.97 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 73.329999999999998 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' PRO . 18.3 Cg_endo -75.0 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 70.310000000000002 111.007 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.62 25.03 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.313 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -44.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 75.340000000000003 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' VAL . 2.7 m -106.42 -38.87 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 74.010000000000005 110.016 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.589 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.4 t90 -46.05 -48.68 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 74.420000000000002 107.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.472 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -58.73 -36.84 74.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 63.140000000000001 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' SER . 30.6 t -65.83 -18.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 73.540000000000006 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.569 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -91.09 -32.84 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 72.200000000000003 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.585 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 43.1 mtt180 -84.02 -20.15 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 75.0 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.425 ' CD1' ' HG ' ' A' ' 43' ' ' LEU . 3.0 tp -85.05 -50.27 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.568 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 7.5 m-85 -64.74 -27.47 68.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.6 t60 -60.19 -18.86 51.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 72.409999999999997 109.621 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 7.7 mt -97.25 -24.7 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.409999999999997 109.265 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.471 ' CD2' ' OE1' ' A' ' 106' ' ' GLU . 48.2 mt -71.52 -23.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 72.019999999999996 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 65.439999999999998 109.279 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -99.19 -18.76 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 72.030000000000001 110.351 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.504 ' OE2' ' CD1' ' A' ' 108' ' ' LEU . 2.2 pt-20 -106.84 -8.64 16.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 76.64 40.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 71.030000000000001 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.504 ' CD1' ' OE2' ' A' ' 106' ' ' GLU . 9.2 mt -95.84 -39.51 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 75.450000000000003 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -140.64 147.71 50.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 52.299999999999997 108.267 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.6 Cg_endo -74.96 146.4 32.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 75.129999999999995 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -46.18 -25.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 109.273 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.44 ' O ' ' CG2' ' A' ' 116' ' ' VAL . 70.1 m -51.63 -45.37 63.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 72.140000000000001 110.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.23 -31.98 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.551 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 3.0 ttp180 -66.52 -30.35 70.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 75.219999999999999 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.3 OUTLIER -84.0 -47.18 11.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.099999999999994 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.453 ' N ' ' OD2' ' A' ' 115' ' ' ASP . 22.1 t -57.7 -36.96 56.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.450000000000003 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.58 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.150000000000006 109.314 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.57 ' CD1' ' HB1' ' A' ' 140' ' ' ALA . 2.9 m-85 -65.95 -45.95 79.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 74.209999999999994 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.407 ' NE2' ' HD2' ' A' ' 115' ' ' ASP . 85.8 mt-30 -51.0 -53.32 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 72.230000000000004 110.283 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -17.16 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 74.129999999999995 110.31 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.78 -19.01 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.482 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 29.7 t -85.81 -25.37 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 73.109999999999999 109.319 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -87.46 -29.15 21.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 75.209999999999994 110.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.428 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.9 t -69.62 -45.69 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 110.42 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.571 HD22 ' CZ3' ' A' ' 94' ' ' TRP . 5.4 mp -65.79 -43.42 88.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 73.120000000000005 109.318 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.418 ' N ' HD23 ' A' ' 133' ' ' LEU . 15.8 m -64.19 -46.19 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.530000000000001 109.949 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 m -54.08 -54.52 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 73.530000000000001 110.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.419 ' NE ' HD13 ' A' ' 125' ' ' LEU . 7.9 ptt180 -81.52 -4.46 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.519999999999996 110.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.4 t0 45.22 57.74 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.549999999999997 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.04 -174.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 109.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.27 0.55 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 75.239999999999995 109.611 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -110.14 10.08 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 75.510000000000005 110.318 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.418 HD23 ' N ' ' A' ' 126' ' ' SER . 2.9 tm? -61.51 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -52.54 -28.23 28.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 63.229999999999997 111.014 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.61 -30.78 69.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 73.340000000000003 110.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.589 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 47.6 tp -80.43 -38.14 30.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.239999999999995 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.482 ' OE1' ' CG1' ' A' ' 122' ' ' VAL . 42.7 mm-40 -62.35 -15.28 47.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.18 -3.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -99.24 -46.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 70.319999999999993 110.336 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.57 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -68.4 -10.7 56.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 71.230000000000004 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 55.7 mtm180 -97.5 -59.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -22.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 73.019999999999996 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 15.1 mmp_? -86.13 -78.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 72.109999999999999 110.29 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.587 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.8 -55.64 16.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.25 108.273 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.0 68.88 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.593 ' CH2' ' CG1' ' A' ' 148' ' ' ILE . 0.1 OUTLIER -149.28 -169.88 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.997 -1.112 . . . . 75.439999999999998 107.997 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -113.59 61.2 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 63.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.593 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.7 tt -72.22 -18.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.335 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.458 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -61.47 -15.0 33.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 75.5 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 105.29 -9.66 46.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 71.519999999999996 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.5 141.43 23.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 72.209999999999994 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.2 Cg_endo -75.07 0.34 9.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 74.120000000000005 110.971 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.05 -48.39 0.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 64.430000000000007 110.993 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m -74.13 64.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 64.319999999999993 109.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 4.4 mm -134.94 153.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 72.340000000000003 109.289 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 75.409999999999997 110.323 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.593 -0.521 . . . . 62.340000000000003 109.593 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt -109.34 59.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 74.510000000000005 111.051 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.73 152.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 51.530000000000001 109.293 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 p -91.49 46.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 73.209999999999994 108.268 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.3 m -139.94 155.5 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 75.109999999999999 110.413 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 98.46 78.76 1.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 51.030000000000001 111.025 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.566 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.96 -170.48 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 71.5 111.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.489 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 1.2 m -170.06 -177.82 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.409999999999997 109.969 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.478 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -69.81 -53.99 10.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.233 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -75.0 -30.63 6.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 72.349999999999994 111.005 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -47.14 -46.21 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 52.240000000000002 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.45 ' CB ' HD22 ' A' ' 99' ' ' LEU . . . -60.53 -31.73 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 109.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.813 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -70.25 -36.48 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 72.019999999999996 110.985 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.23 -52.55 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 75.430000000000007 109.251 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.9 mt -61.87 -24.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.3 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -51.93 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 75.450000000000003 109.343 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -74.15 -14.46 80.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -86.35 3.29 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 72.209999999999994 109.309 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.457 ' HB1' ' CD2' ' A' ' 108' ' ' LEU . . . -83.06 -70.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 73.439999999999998 109.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 170.91 136.8 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 44.020000000000003 111.016 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 51.2 tp60 -37.41 -60.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 71.120000000000005 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.03 -35.18 79.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 62.409999999999997 109.312 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.456 ' N ' ' O ' ' A' ' 19' ' ' GLY . 1.6 tptt -49.1 -30.64 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.466 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.6 -56.29 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 71.230000000000004 109.274 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.4 mm? -50.01 -52.43 34.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -51.79 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 110.98 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 62.7 mt -39.65 -46.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 74.140000000000001 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.08 -52.72 57.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 75.150000000000006 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.7 m-70 -61.38 -14.25 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -86.33 -49.92 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 72.200000000000003 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.577 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.24 -13.69 40.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 74.030000000000001 109.297 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 29.7 mmtt -39.4 -33.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 74.409999999999997 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -123.52 109.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 74.109999999999999 110.409 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.8 38.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 75.200000000000003 111.037 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -91.36 160.51 36.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 75.230000000000004 110.323 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 97.51 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 75.530000000000001 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.92 9.38 32.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.39 126.85 36.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 75.030000000000001 108.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.4 2.69 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 75.349999999999994 110.281 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.507 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.63 -25.14 7.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 73.540000000000006 111.018 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.512 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 7.3 tt0 -83.6 -55.59 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 74.319999999999993 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.464 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 5.8 t0 -57.28 -40.52 77.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 62.130000000000003 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.1 tp -62.08 -48.93 78.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 71.510000000000005 109.305 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.445 ' HB2' ' CD1' ' A' ' 99' ' ' LEU . 55.0 tp -60.13 -31.98 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 72.329999999999998 109.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.577 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.1 t-160 -60.1 -23.71 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 75.230000000000004 109.63 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.472 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -82.96 -20.65 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 73.319999999999993 109.253 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.7 mtp -97.38 -11.1 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 110.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.452 ' O ' ' N ' ' A' ' 50' ' ' LYS . 44.5 t -87.98 -58.11 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.5 109.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -40.82 -33.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 75.299999999999997 109.297 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.47 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 1.4 mt -61.31 -52.77 63.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 75.510000000000005 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.468 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.7 mmmt -51.93 -21.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 73.239999999999995 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.476 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 2.7 mt -88.96 -43.13 11.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 74.140000000000001 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.33 21.58 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 62.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.85 79.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 75.129999999999995 110.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.52 -19.06 63.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 74.239999999999995 110.357 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -39.69 -29.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 64.329999999999998 110.389 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm-40 -93.94 -43.46 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 110.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.472 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.22 -36.54 3.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 72.209999999999994 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 72.2 mtp180 -68.37 -55.8 10.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 75.230000000000004 110.334 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.1 mp -47.68 -46.92 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.450000000000003 109.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.03 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 62.210000000000001 109.976 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 74' ' ' ALA . 12.6 mt -55.24 -42.18 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.42 -16.03 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 75.140000000000001 110.347 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -83.25 5.62 22.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 109.291 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.464 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 7.7 mt -122.04 49.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 72.120000000000005 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -54.02 -22.92 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 72.140000000000001 109.279 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.38 28.38 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 73.430000000000007 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.13 132.01 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 75.150000000000006 109.268 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.88 -24.29 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 70.400000000000006 109.298 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.495 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 6.1 t -66.48 -14.73 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 74.140000000000001 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -77.44 -48.54 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 55.32 109.335 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -66.35 -22.9 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 75.019999999999996 110.264 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -89.08 -41.97 12.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.109999999999999 109.326 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 69' ' ' VAL . 25.0 t -69.45 -8.84 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 73.230000000000004 109.32 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.562 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -81.13 -39.43 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 74.450000000000003 109.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -98.39 -6.02 31.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 72.549999999999997 110.291 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.9 OUTLIER -84.34 -44.47 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 110.29 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 27.0 m-90 -116.49 -62.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 74.209999999999994 107.97 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.562 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -41.3 -29.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 74.129999999999995 109.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.37 20.49 69.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 65.129999999999995 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.534 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.8 t -42.4 165.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 72.239999999999995 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 83' ' ' THR . 0.6 OUTLIER -75.73 54.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 41.509999999999998 109.329 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' ASP . 29.4 p -24.17 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 109.956 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.593 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -104.4 -7.37 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 62.140000000000001 110.398 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -91.58 -165.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 72.450000000000003 110.345 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 161.56 29.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 64.109999999999999 109.265 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.46 1.769 . . . . 75.25 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -48.97 115.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 73.439999999999998 110.348 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.5 151.41 96.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 64.530000000000001 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.452 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 63.049999999999997 111.041 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.52 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 74.099999999999994 111.029 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.465 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 0.6 OUTLIER -119.51 25.27 10.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 74.010000000000005 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -39.84 -45.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 72.430000000000007 109.296 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -42.23 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 54.229999999999997 109.98 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.589 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 4.3 t90 -45.97 -56.38 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 75.200000000000003 108.002 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -47.23 -42.41 20.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.140000000000001 109.3 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.489 ' CG1' ' O ' ' A' ' 7' ' ' SER . 14.8 t -62.73 -39.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 71.450000000000003 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.36 68.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 64.239999999999995 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.418 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 18.2 mtt180 -85.96 -23.64 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.519999999999996 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.45 HD22 ' CB ' ' A' ' 11' ' ' ALA . 1.3 tp -74.53 -45.94 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.109999999999999 109.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.566 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 5.0 m-85 -67.54 -33.84 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 111.024 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -49.71 -27.69 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.572 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.7 mt -90.72 -35.86 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 74.0 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 39.8 mt -62.69 -23.15 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 109.325 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.02 -12.75 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 75.239999999999995 109.333 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -99.87 -19.55 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.31 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.9 mm-40 -83.87 -18.58 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 72.409999999999997 110.262 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt 77.09 44.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 63.140000000000001 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.457 ' CD2' ' HB1' ' A' ' 18' ' ' ALA . 21.8 mt -112.23 -37.85 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 75.010000000000005 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.9 p -136.29 154.97 77.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 73.109999999999999 108.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.99 30.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 72.140000000000001 110.979 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.23 51.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.310000000000002 109.31 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.1 m -62.99 -53.49 53.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 74.239999999999995 110.026 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.564 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.2 OUTLIER -52.03 -37.42 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 72.349999999999994 109.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -62.43 -30.24 71.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 74.219999999999999 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -81.86 -48.53 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.295 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.464 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 25.1 t -56.76 -37.48 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 109.284 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.86 81.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.3 m-85 -62.13 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.319999999999993 111.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -54.12 -63.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.530000000000001 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.14 -19.16 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.95 -30.66 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 63.219999999999999 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.465 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 49.1 t -73.53 -27.07 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 74.120000000000005 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.7 mmt180 -75.64 -67.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 73.040000000000006 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.402 ' C ' ' O ' ' A' ' 123' ' ' ARG . 0.6 OUTLIER -38.43 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 50.439999999999998 110.411 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD22 ' CE3' ' A' ' 94' ' ' TRP . 4.8 mp -84.42 -65.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 75.049999999999997 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 125' ' ' LEU . 12.9 t -37.46 -46.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 62.530000000000001 109.969 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -54.69 -59.15 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 71.230000000000004 110.016 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.516 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -80.65 5.38 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.030000000000001 110.322 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 125' ' ' LEU . 28.8 t0 45.22 38.02 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 61.310000000000002 109.241 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.516 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 16.5 t0 -40.65 153.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 109.321 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -74.42 -6.52 48.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 70.219999999999999 109.597 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.39 -0.01 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.481 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -49.66 -66.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 71.140000000000001 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.481 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -52.84 -32.35 40.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 54.240000000000002 111.0 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.96 -34.88 79.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 72.510000000000005 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.589 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 65.3 tp -71.92 -38.93 69.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 71.120000000000005 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.476 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 41.5 mm-40 -61.62 -18.39 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 63.100000000000001 110.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.19 -14.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.328 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.06 -53.98 4.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 75.340000000000003 110.272 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.56 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -60.85 -14.98 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 53.210000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.0 mtm180 -90.9 -62.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.010000000000005 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.31 -22.26 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 71.329999999999998 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.405 ' HA ' ' NE ' ' A' ' 143' ' ' ARG . 11.9 mmp_? -84.35 -78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 73.430000000000007 110.313 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.26 -55.16 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 108.312 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.17 68.28 0.83 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 111.006 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.599 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.78 -169.94 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.003 -1.11 . . . . 72.540000000000006 108.003 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.71 61.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 75.439999999999998 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.599 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 5.3 tt -70.12 -37.0 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.519999999999996 109.328 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.476 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -41.28 -29.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 62.200000000000003 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 128.39 -10.77 6.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 110.987 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -50.19 134.93 23.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 73.219999999999999 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.4 Cg_endo -74.99 0.13 9.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 73.409999999999997 111.034 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 110.27 -47.55 1.03 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 62.340000000000003 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.2 t -74.96 63.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 74.25 110.033 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.467 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 4.8 mm -135.31 134.82 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 75.5 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 72.0 110.303 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 16.7 p80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.632 -0.507 . . . . 75.140000000000001 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -99.25 125.9 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 72.409999999999997 111.034 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.41 172.73 12.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 73.140000000000001 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.4 t -89.92 100.35 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 65.450000000000003 108.33 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -121.37 -174.8 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 74.019999999999996 110.39 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.64 -85.5 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 74.400000000000006 110.967 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.492 ' O ' ' CG1' ' A' ' 96' ' ' VAL . 2.0 t 179.95 175.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 72.310000000000002 109.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -67.28 -52.67 28.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 74.049999999999997 109.328 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -29.4 8.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 75.329999999999998 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -46.89 -44.49 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 73.019999999999996 110.061 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.95 -32.28 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 65.230000000000004 109.283 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.811 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -75.94 -32.76 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.349999999999994 110.986 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.34 -34.47 74.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.94 -29.67 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 72.319999999999993 109.331 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.465 ' CD1' HD22 ' A' ' 43' ' ' LEU . 1.7 mt -58.41 -53.18 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.13 -5.24 52.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 64.549999999999997 110.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.62 17.96 19.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.731 . . . . 52.109999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -101.72 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.34 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.26 135.08 1.77 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 74.239999999999995 111.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' GLY . 42.0 tp60 -36.51 -64.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 110.312 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -38.6 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 74.519999999999996 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' NZ ' ' CD2' ' A' ' 25' ' ' TYR . 0.1 OUTLIER -49.12 -30.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 74.400000000000006 109.283 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 HD11 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.16 -65.02 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 75.150000000000006 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.517 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 68.3 mt -42.74 -56.44 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.010000000000005 109.278 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.482 ' CD2' ' NZ ' ' A' ' 22' ' ' LYS . 1.7 t80 -52.13 -59.2 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 72.099999999999994 111.004 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.5 ' CD2' ' OE1' ' A' ' 106' ' ' GLU . 10.4 mt -40.17 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 73.230000000000004 109.307 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.45 ' HB2' ' CG1' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -46.22 -62.52 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.277 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.517 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 86.9 m-70 -41.51 -28.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 109.625 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.4 tttp -82.33 -53.99 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 74.310000000000002 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.489 ' CD2' ' O ' ' A' ' 40' ' ' GLN . 6.3 mp -56.54 -18.94 13.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 73.109999999999999 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.0 mmtt -35.75 -37.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 73.120000000000005 109.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.45 ' CG2' ' O ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -109.76 112.86 58.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 72.340000000000003 110.356 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.06 41.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 72.140000000000001 111.018 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.419 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.1 mmm-85 -100.52 162.44 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.140000000000001 110.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.526 1.803 . . . . 74.030000000000001 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.99 29.18 9.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.142 . . . . 72.329999999999998 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.79 127.73 48.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 75.239999999999995 108.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CD ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.05 1.67 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 75.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 -26.84 7.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 63.32 111.002 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.489 ' O ' ' CD2' ' A' ' 30' ' ' LEU . 15.4 tt0 -79.3 -55.31 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 63.200000000000003 110.252 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 7.4 t0 -54.9 -37.63 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 62.450000000000003 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.477 ' CD1' HG12 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.77 -44.22 97.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.519999999999996 109.327 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.465 HD22 ' CD1' ' A' ' 15' ' ' LEU . 0.6 OUTLIER -65.63 -34.11 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 71.299999999999997 109.273 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -58.3 -22.25 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 75.319999999999993 109.558 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.453 ' CB ' HD22 ' A' ' 61' ' ' LEU . . . -90.59 -20.06 23.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.573 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 54.3 mtp -97.52 -7.82 30.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' A' ' 27' ' ' LYS . 19.8 t -92.08 -55.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 109.32 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 47' ' ' VAL . 0.9 OUTLIER -40.1 -42.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.150000000000006 109.284 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.448 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.8 mt -53.01 -55.65 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.408 ' HB3' ' NZ ' ' A' ' 50' ' ' LYS . 2.0 mmmp? -44.37 -27.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.419 ' CD2' HD23 ' A' ' 24' ' ' LEU . 5.8 mt -85.8 -47.59 9.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 64.239999999999995 109.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.25 11.65 8.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.6 82.41 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 73.540000000000006 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.59 -19.04 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.430000000000007 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -38.44 -36.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 74.099999999999994 110.408 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.72 -44.38 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 110.321 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . . . . . . . . . . . -45.42 -36.92 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 75.450000000000003 109.286 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -63.63 -48.12 78.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 71.019999999999996 110.327 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.29 -46.22 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.430000000000007 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -62.45 -46.66 87.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.099999999999994 110.018 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD22 ' CB ' ' A' ' 45' ' ' ALA . 10.3 mt -57.56 -38.82 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 11.2 tt0 -71.24 -18.06 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 73.540000000000006 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -77.1 -2.31 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 62.219999999999999 109.301 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 1.7 mt -123.14 51.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 72.150000000000006 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 32.2 mtmt -62.14 -15.38 45.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 73.030000000000001 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -25.46 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 74.510000000000005 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.83 133.23 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 75.549999999999997 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.452 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.08 -2.1 57.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.469 ' O ' ' N ' ' A' ' 73' ' ' VAL . 73.8 t -84.51 -39.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 70.120000000000005 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -53.56 -56.88 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 61.420000000000002 109.288 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -53.51 -52.99 57.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 74.340000000000003 110.279 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 1.3 tm? -63.01 -23.34 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 63.210000000000001 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.477 HG12 ' CD1' ' A' ' 42' ' ' LEU . 5.8 t -92.53 -3.86 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 64.219999999999999 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.569 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -87.64 -37.72 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 62.329999999999998 109.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.465 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 4.2 ptt-85 -98.79 -6.25 29.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.120000000000005 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -89.49 -46.83 8.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 110.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.811 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.5 m-90 -106.03 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.099999999999994 108.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.569 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -53.18 -50.97 63.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 75.329999999999998 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 95.46 25.68 13.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 73.239999999999995 110.969 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.477 HG22 ' CB ' ' A' ' 74' ' ' ALA . 98.4 t -45.69 170.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 61.409999999999997 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.475 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.92 15.07 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.120000000000005 109.347 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 52.8 m -74.4 56.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 64.120000000000005 110.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.502 ' O ' ' O ' ' A' ' 84' ' ' GLU . 17.0 p -50.8 -15.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 73.129999999999995 110.436 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 83' ' ' THR . 19.8 mm-40 -40.19 167.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.340000000000003 110.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CB ' ' OE1' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -62.3 114.14 10.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 109.284 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 54.61 3.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.496 1.787 . . . . 70.019999999999996 111.0 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' OE1' ' N ' ' A' ' 87' ' ' GLU . 1.8 mm-40 -60.02 -179.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 73.310000000000002 110.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -103.85 126.21 32.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 71.530000000000001 110.267 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.463 ' HG2' ' CG2' ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 74.230000000000004 111.051 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 74.140000000000001 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.439 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -120.54 24.64 10.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 73.040000000000006 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -42.92 -43.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 74.319999999999993 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.5 t -103.05 -38.5 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 73.209999999999994 110.017 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.595 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.2 t90 -46.05 -57.21 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 71.540000000000006 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -49.51 -32.29 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 109.274 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.492 ' CG1' ' O ' ' A' ' 7' ' ' SER . 5.8 t -76.6 -32.31 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 74.120000000000005 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.511 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 73.049999999999997 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.563 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 9.2 mtt180 -75.13 -26.5 59.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 74.409999999999997 110.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.465 ' CD2' ' CD1' ' A' ' 43' ' ' LEU . 6.9 tt -73.65 -54.93 6.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.1 m-85 -62.6 -23.07 66.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 72.099999999999994 110.977 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -65.04 -21.86 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 73.150000000000006 109.58 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -96.85 -26.13 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.519999999999996 109.298 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.429 ' CD2' ' OE2' ' A' ' 106' ' ' GLU . 91.0 mt -70.65 -18.06 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 72.140000000000001 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . 0.477 ' CB ' ' NH2' ' A' ' 114' ' ' ARG . . . -83.72 -2.36 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 72.519999999999996 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -99.58 -16.85 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.329999999999998 110.261 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.502 ' OE1' ' CD1' ' A' ' 108' ' ' LEU . 1.5 pt-20 -106.94 -1.23 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.269 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt 70.43 30.22 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 75.129999999999995 109.326 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 18.9 mt -88.43 -27.93 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.408 ' SG ' ' HB2' ' A' ' 113' ' ' LEU . 4.5 t -160.3 138.54 7.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 71.219999999999999 108.278 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -74.98 145.33 31.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 73.319999999999993 111.023 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . 0.449 ' HB1' ' CZ ' ' A' ' 114' ' ' ARG . . . -47.63 -24.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 54.32 109.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 110' ' ' PRO . 1.2 m -37.81 -45.97 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 64.129999999999995 110.044 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.438 ' O ' ' N ' ' A' ' 115' ' ' ASP . 6.9 mp -76.33 -52.27 10.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 74.430000000000007 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.477 ' NH2' ' CB ' ' A' ' 104' ' ' ALA . 12.3 ttm180 -38.14 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 73.040000000000006 110.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.476 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 0.5 OUTLIER -75.17 -63.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.311 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.97 -40.94 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 74.530000000000001 109.281 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -61.37 -57.26 13.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.292 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.567 ' CD1' ' HB2' ' A' ' 140' ' ' ALA . 2.1 m-85 -48.52 -40.13 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 110.972 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 84.6 mt-30 -57.74 -45.95 85.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 73.019999999999996 110.284 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.73 -10.53 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 75.129999999999995 110.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.463 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -96.97 -29.91 13.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.491 ' O ' ' CB ' ' A' ' 126' ' ' SER . 1.0 OUTLIER -82.49 -30.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 63.439999999999998 109.338 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.415 ' N ' HG21 ' A' ' 122' ' ' VAL . 0.0 OUTLIER -74.61 -33.05 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 72.239999999999995 110.343 179.928 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -77.8 -36.73 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 73.439999999999998 110.373 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.569 HD22 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -80.12 -34.56 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 72.019999999999996 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.7 t -70.32 -40.72 74.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 65.510000000000005 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.4 p -60.73 -43.5 97.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 73.400000000000006 110.01 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.5 ptt85 -95.61 1.81 53.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.310000000000002 110.278 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.2 t0 44.17 48.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.530000000000001 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.49 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.1 t0 -50.08 177.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -93.79 -0.37 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 75.120000000000005 109.519 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.49 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -116.04 -1.43 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 75.230000000000004 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.516 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 1.4 tm? -48.86 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 70.129999999999995 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.516 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -48.84 -33.5 13.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 74.549999999999997 111.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -33.32 73.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 75.319999999999993 110.302 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.595 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 58.9 tp -72.31 -41.09 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 73.209999999999994 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.475 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 38.8 mm-40 -63.18 -14.59 50.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 72.010000000000005 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.58 -4.35 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 73.109999999999999 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 7.6 tt0 -99.4 -45.49 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 71.049999999999997 110.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.567 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.21 -13.01 62.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 71.430000000000007 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 145' ' ' GLY . 48.5 mtm180 -94.28 -60.15 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -21.85 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.219999999999999 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.9 mmp_? -84.99 -77.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.87 -55.54 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 74.420000000000002 108.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.27 67.73 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 73.310000000000002 111.026 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.586 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -149.15 -170.7 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.003 -1.11 . . . . 74.340000000000003 108.003 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.39 61.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.409999999999997 109.335 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.581 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 4.8 tt -70.2 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.475 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -80.63 2.51 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 62.229999999999997 109.282 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 70.97 15.1 73.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 42.32 110.987 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.9 163.75 0.63 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 72.140000000000001 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 74.319999999999993 110.969 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.67 60.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 41.119999999999997 111.014 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m 65.53 29.69 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 65.200000000000003 109.993 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.459 ' CD1' ' N ' ' A' ' 156' ' ' ARG . 1.3 pp -92.24 -175.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 75.420000000000002 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.459 ' N ' ' CD1' ' A' ' 155' ' ' ILE . 9.5 ptt-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.310000000000002 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.564 -0.532 . . . . 73.219999999999999 109.564 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.1 168.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 73.040000000000006 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.88 144.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 71.120000000000005 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.4 t -109.56 71.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 74.310000000000002 108.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 m -72.45 155.81 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 74.109999999999999 110.42 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.18 -83.04 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 52.009999999999998 111.015 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.586 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.541 1.811 . . . . 73.349999999999994 110.986 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -179.94 172.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.040000000000006 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.507 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -67.58 -52.13 28.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.200000000000003 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.03 -26.33 10.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 71.549999999999997 111.012 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.439 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 20.3 m -49.8 -45.71 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 75.25 110.022 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.523 ' HB3' ' CE1' ' A' ' 100' ' ' TYR . . . -61.03 -31.85 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 64.319999999999993 109.263 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -76.28 -31.72 58.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 73.450000000000003 111.033 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.96 -40.34 72.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.474 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 10.8 mt -69.23 -19.27 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 72.049999999999997 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 ' CD1' HD13 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.48 -56.27 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 73.319999999999993 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.44 ' CA ' ' HE3' ' A' ' 50' ' ' LYS . . . -66.7 -8.81 49.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 75.219999999999999 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.91 16.45 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 75.219999999999999 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.445 ' HB2' ' CD2' ' A' ' 108' ' ' LEU . . . -101.07 -77.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 73.310000000000002 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' ' CD2' ' A' ' 23' ' ' LEU . . . 175.94 137.36 2.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 70.400000000000006 111.014 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -42.9 -48.27 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 73.25 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.2 -28.35 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 109.33 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -58.68 -26.37 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 64.209999999999994 109.256 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -87.39 -55.49 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 62.450000000000003 109.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 77.4 mt -47.64 -41.68 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 72.150000000000006 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -62.83 -75.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 75.349999999999994 111.005 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 50.8 mt -39.09 -38.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 71.319999999999993 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -54.42 -55.98 23.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.319999999999993 109.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 90.2 m-70 -64.45 -12.15 40.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 109.547 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.79 -39.44 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.439999999999998 109.343 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.563 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 3.1 mt -69.43 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 74.109999999999999 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.431 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 23.8 mmtt -39.06 -31.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.8 m -114.69 90.54 22.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 72.319999999999993 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.44 42.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 73.219999999999999 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -95.47 165.27 17.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 73.209999999999994 110.309 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.56 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 73.239999999999995 111.017 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.63 6.05 33.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.62 124.69 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.257 -1.016 . . . . 71.219999999999999 108.257 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -122.0 -4.71 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 75.219999999999999 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.94 -33.6 3.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 55.409999999999997 111.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.511 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 1.1 tt0 -72.96 -62.23 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 75.409999999999997 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.469 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 4.7 t0 -54.57 -41.76 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 72.019999999999996 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.85 -55.49 29.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 65.400000000000006 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.454 HD12 ' CD1' ' A' ' 99' ' ' LEU . 4.0 tp -56.22 -31.57 63.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 73.25 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.7 t-160 -56.94 -28.28 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 73.430000000000007 109.595 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.475 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -84.93 -23.02 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 63.420000000000002 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.562 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 48.6 mtp -91.19 -8.61 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.977 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 98.6 t -93.88 -53.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 64.329999999999998 109.305 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -40.22 -45.43 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 73.519999999999996 109.313 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.454 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 2.4 mt -51.86 -57.86 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 74.25 109.319 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.44 ' HE3' ' CA ' ' A' ' 16' ' ' GLY . 21.7 mmtt -42.81 -28.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 73.299999999999997 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.46 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 0.8 OUTLIER -84.88 -45.56 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 74.219999999999999 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.94 18.25 6.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 74.010000000000005 110.995 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.76 81.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 71.400000000000006 110.293 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -71.8 -18.91 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 74.409999999999997 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.61 -38.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 70.340000000000003 110.38 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.2 mm-40 -82.48 -47.77 11.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 74.329999999999998 110.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.475 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -42.38 -40.14 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 73.010000000000005 109.317 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -62.07 -47.53 84.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 72.400000000000006 110.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -54.73 -59.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 72.010000000000005 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -51.52 -45.78 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.053 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.4 mt -55.25 -39.53 69.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 74.409999999999997 109.273 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.85 -18.18 59.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 72.310000000000002 110.275 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -73.87 -4.37 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 73.310000000000002 109.294 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.469 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -122.62 54.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 109.31 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . 0.429 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 40.5 mtpt -55.06 -22.54 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 74.25 109.286 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.71 -59.31 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 62.310000000000002 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.24 120.31 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.311 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.416 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . . . -81.58 -1.54 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 72.439999999999998 109.283 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.468 ' CG2' ' HB2' ' A' ' 91' ' ' ASP . 2.9 t -93.96 -7.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 72.109999999999999 109.327 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -88.56 -19.33 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -89.27 -30.63 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 65.129999999999995 110.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 1.9 tm? -82.88 -37.41 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 73.299999999999997 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.496 ' HA ' ' HB3' ' A' ' 76' ' ' GLN . 3.8 t -70.66 -4.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 73.239999999999995 109.299 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.491 ' O ' ' N ' ' A' ' 79' ' ' GLY . . . -79.83 -63.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 65.239999999999995 109.304 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.477 ' CG ' ' HB2' ' A' ' 82' ' ' SER . 0.1 OUTLIER -78.41 -7.5 57.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 71.030000000000001 110.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp60 -84.97 -43.97 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 65.010000000000005 110.282 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.793 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.6 m-90 -117.08 -59.55 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 108.04 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.475 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -50.26 -24.94 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 65.299999999999997 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 67.88 26.43 73.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 53.43 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.47 HG22 ' CB ' ' A' ' 74' ' ' ALA . 97.1 t -45.61 169.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 75.230000000000004 109.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.466 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.9 OUTLIER -83.8 16.23 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 75.140000000000001 109.338 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 26.3 m -75.64 54.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 74.030000000000001 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 84' ' ' GLU . 14.7 p -47.6 -20.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 64.510000000000005 110.425 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 83' ' ' THR . 44.7 mt-10 -38.16 159.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 75.430000000000007 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -49.12 142.18 10.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 74.540000000000006 109.312 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.76 3.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 72.400000000000006 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' A' ' 88' ' ' GLU . 2.4 tp10 -54.02 132.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.140000000000001 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' OE2' ' A' ' 87' ' ' GLU . 7.0 mt-10 -92.86 128.63 42.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 75.519999999999996 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.414 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.99 165.4 31.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 61.329999999999998 110.999 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.09 7.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 74.219999999999999 110.994 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.496 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 0.4 OUTLIER -116.94 25.71 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 73.409999999999997 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -48.71 -79.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 75.25 109.306 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 94' ' ' TRP . 47.3 m -65.66 -49.28 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 60.039999999999999 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.598 ' CE2' ' CD1' ' A' ' 136' ' ' LEU . 3.6 t90 -40.63 -65.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.219999999999999 107.973 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.496 ' CB ' ' O ' ' A' ' 91' ' ' ASP . . . -41.47 -56.67 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 73.430000000000007 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.48 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 26.3 t -46.05 -39.53 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.068 . . . . 72.340000000000003 109.314 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -70.87 -36.95 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 63.049999999999997 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.492 ' CZ ' ' OE1' ' A' ' 38' ' ' GLN . 3.1 mtt180 -75.31 -19.22 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 75.049999999999997 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.465 HD22 ' CE ' ' A' ' 46' ' ' MET . 1.7 tp -83.62 -41.29 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.354 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.586 ' CE2' ' HB3' ' A' ' 6' ' ' PRO . 5.1 m-85 -72.07 -37.23 69.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 73.239999999999995 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . 0.486 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 5.1 t60 -47.12 -25.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 73.150000000000006 109.578 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 5.7 mt -92.4 -34.17 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 74.349999999999994 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . 0.441 ' N ' ' O ' ' A' ' 100' ' ' TYR . 97.1 mt -64.96 -13.55 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 75.310000000000002 109.293 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.4 -11.83 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.439999999999998 110.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.89 -18.14 29.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 75.140000000000001 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 77.5 30.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.510000000000005 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . 0.445 ' CD2' ' HB2' ' A' ' 18' ' ' ALA . 71.9 mt -99.94 -34.03 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 74.230000000000004 109.314 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.474 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.4 m -137.32 149.38 65.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 74.310000000000002 108.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 72.239999999999995 110.976 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -74.24 -6.14 46.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 109.276 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 78.3 p -65.24 -44.58 87.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.030000000000001 109.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.507 ' HB3' ' CD2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -64.86 -36.93 85.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.1 ttp180 -53.45 -29.58 36.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.31 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 7.6 m-20 -81.13 -67.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 74.329999999999998 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -40.79 -37.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.322 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.98 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 73.340000000000003 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.566 ' CD1' ' HB1' ' A' ' 140' ' ' ALA . 1.6 m-85 -53.15 -42.86 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.200000000000003 110.965 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -53.78 -54.45 38.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 71.310000000000002 110.26 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.32 -18.61 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 64.340000000000003 110.269 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.416 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -100.06 -23.67 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.530000000000001 109.266 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.448 ' CG1' ' OE1' ' A' ' 137' ' ' GLN . 17.7 t -80.65 -24.65 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 73.239999999999995 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -90.08 -28.24 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 72.349999999999994 110.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' THR . . . . . 0.45 ' CG2' HD21 ' A' ' 125' ' ' LEU . 2.0 t -76.97 -36.74 56.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 73.019999999999996 110.433 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.471 ' CD1' ' HG3' ' A' ' 132' ' ' ARG . 2.0 mm? -72.44 -38.17 68.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 72.129999999999995 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.3 m -75.17 -51.06 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 110.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 t -48.32 -37.27 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.340000000000003 109.979 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -97.4 -18.44 19.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 75.219999999999999 110.295 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.1 m-20 59.76 61.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 109.279 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 33.5 t0 -75.48 178.14 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 61.32 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -88.03 -8.42 55.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 65.230000000000004 109.621 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.3 OUTLIER -108.96 9.01 26.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.509 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -60.67 -67.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 75.109999999999999 109.287 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.509 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -52.87 -19.83 7.41 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 61.43 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.9 -31.04 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 73.340000000000003 110.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.598 ' CD1' ' CE2' ' A' ' 94' ' ' TRP . 31.7 tp -74.36 -37.64 63.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.464 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 44.8 mm-40 -63.17 -19.66 64.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 74.450000000000003 110.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.42 -2.99 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.049999999999997 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.499 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 5.8 tt0 -97.97 -46.21 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 74.120000000000005 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -69.41 -15.65 63.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 73.319999999999993 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 16.2 mtm180 -95.5 -61.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -49.79 -23.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 62.340000000000003 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.6 mmp_? -85.94 -79.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 110.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.583 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.88 -56.25 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 72.030000000000001 108.308 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.92 70.21 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.583 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.2 OUTLIER -150.6 -170.68 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 75.540000000000006 107.984 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.0 62.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.569 ' CG1' ' CH2' ' A' ' 146' ' ' TRP . 3.4 tt -74.84 -28.03 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 70.239999999999995 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.464 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -62.33 -16.48 54.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 73.420000000000002 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 98.42 20.75 19.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 74.319999999999993 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.59 155.12 41.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 73.340000000000003 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -11.6 21.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 73.439999999999998 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 121.17 -43.11 1.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 71.099999999999994 110.98 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t 167.01 106.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 74.310000000000002 110.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.404 ' CG2' ' N ' ' A' ' 156' ' ' ARG . 5.3 mm -121.96 163.85 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 109.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . 0.404 ' N ' ' CG2' ' A' ' 155' ' ' ILE . 5.7 tmm_? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 75.140000000000001 110.284 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 72.319999999999993 109.598 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt -147.05 -178.63 6.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 74.219999999999999 111.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.3 101.74 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 62.210000000000001 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 t -171.37 171.16 5.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 72.239999999999995 108.329 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -39.39 148.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 75.049999999999997 110.386 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.65 -67.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 110.955 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.47 ' CD ' HD11 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.0 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 71.120000000000005 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 171.43 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 75.019999999999996 110.043 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.477 ' HA ' ' CG2' ' A' ' 96' ' ' VAL . 0.3 OUTLIER 175.99 -57.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 73.409999999999997 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -29.68 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 74.25 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -48.8 -47.78 41.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 70.430000000000007 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -61.72 -40.0 93.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.420000000000002 109.323 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.409999999999997 110.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -63.84 -45.61 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . 0.441 ' CG2' ' SG ' ' A' ' 109' ' ' CYS . 21.3 mt -68.24 -20.09 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.425 HD21 ' CG ' ' A' ' 50' ' ' LYS . 2.7 tp -75.33 -38.47 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.049999999999997 109.273 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' CE ' ' A' ' 50' ' ' LYS . . . -84.14 8.39 67.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 73.420000000000002 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.62 12.64 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 75.140000000000001 109.306 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . . . . . . . . . . . -88.55 -77.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 71.420000000000002 109.299 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 177.42 137.56 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 62.439999999999998 111.019 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . 33.2 tp60 -36.38 -64.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 62.509999999999998 110.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LEU . 3.3 t70 -62.1 -40.22 95.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 109.245 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -41.55 -31.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 63.149999999999999 109.279 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.92 -45.62 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 73.120000000000005 109.344 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.7 mm? -55.93 -53.46 56.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 75.040000000000006 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.523 ' CE2' HD22 ' A' ' 26' ' ' LEU . 1.3 t80 -50.9 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 74.019999999999996 111.018 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.523 HD22 ' CE2' ' A' ' 25' ' ' TYR . 87.3 mt -47.46 -37.42 11.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 72.310000000000002 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.506 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.37 -43.98 92.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 74.299999999999997 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 93.3 m-70 -79.27 -7.0 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 74.540000000000006 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -87.36 -51.55 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 74.030000000000001 109.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.569 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.2 mt -52.57 -21.3 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 73.200000000000003 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 mmtp -37.66 -33.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 109.284 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.8 m -114.08 91.78 24.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 75.319999999999993 110.396 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.86 36.3 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 64.230000000000004 110.959 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -99.08 166.07 13.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 74.349999999999994 110.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.75 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.479 1.778 . . . . 75.219999999999999 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.87 11.53 39.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.0 p -69.84 127.07 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.26 -1.015 . . . . 73.219999999999999 108.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -125.3 -0.57 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 75.25 110.335 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.59 -29.01 4.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 72.400000000000006 110.992 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.415 ' N ' HD12 ' A' ' 102' ' ' LEU . 3.0 tt0 -78.82 -64.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 73.420000000000002 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.491 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 5.7 t0 -47.14 -42.51 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 65.239999999999995 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . 0.46 ' CD1' HG12 ' A' ' 69' ' ' VAL . 15.4 tp -62.47 -49.73 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 70.439999999999998 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.453 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 24.8 tp -59.2 -30.45 68.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 70.209999999999994 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.569 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 2.3 t-160 -65.27 -19.72 66.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 71.120000000000005 109.587 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' CB ' HD23 ' A' ' 61' ' ' LEU . . . -90.7 -20.72 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 72.420000000000002 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.485 ' SD ' ' CD1' ' A' ' 99' ' ' LEU . 66.7 mtp -94.02 -18.99 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 74.129999999999995 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 35.5 t -88.84 -45.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 73.549999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . 0.545 ' CD1' ' NE2' ' A' ' 53' ' ' GLN . 0.3 OUTLIER -46.5 -35.14 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 73.129999999999995 109.285 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 ' CD2' ' HB3' ' A' ' 77' ' ' TRP . 4.2 mp -67.98 -40.84 83.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 72.420000000000002 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 47' ' ' VAL . 1.8 mmmp? -51.75 -22.04 3.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.430000000000007 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.439 ' CD2' ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -95.59 -50.87 4.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 72.140000000000001 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.27 30.35 1.92 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 73.409999999999997 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.545 ' NE2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -135.17 59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 74.400000000000006 110.308 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -51.34 -21.35 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 74.530000000000001 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.04 -31.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 54.340000000000003 110.409 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -89.64 -49.97 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 61.25 110.348 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -40.81 -37.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -64.99 -50.27 66.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 75.450000000000003 110.292 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.96 -42.02 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.23 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 74.430000000000007 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD23 ' CB ' ' A' ' 45' ' ' ALA . 5.1 mt -53.83 -37.43 63.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 73.540000000000006 109.355 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.92 -32.45 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -8.65 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 73.040000000000006 109.333 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.491 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.43 45.76 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 109.301 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -15.27 29.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 72.549999999999997 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.0 -21.97 27.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.339 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.71 104.8 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 73.129999999999995 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -60.94 -15.03 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 HG12 ' CD1' ' A' ' 42' ' ' LEU . 0.9 OUTLIER -76.03 -36.9 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 70.219999999999999 109.279 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 73' ' ' VAL . . . -63.09 -70.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.119999999999997 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -48.72 -22.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 73.150000000000006 110.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.473 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.6 OUTLIER -86.76 -33.26 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 109.251 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.586 HG12 ' CE3' ' A' ' 77' ' ' TRP . 9.9 t -78.67 -6.47 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.282 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.591 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -84.9 -36.35 21.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 60.240000000000002 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 7.6 ptt-85 -98.7 -3.63 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 75.200000000000003 110.244 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.553 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 5.2 tp-100 -93.04 -45.53 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 73.010000000000005 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.757 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.8 m-90 -106.78 -62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.450000000000003 108.004 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.591 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -44.58 -45.1 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.109999999999999 109.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 96.5 19.25 28.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 55.530000000000001 110.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.485 HG21 ' CB ' ' A' ' 74' ' ' ALA . 88.1 t -46.08 170.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 74.310000000000002 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.462 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.5 OUTLIER -76.03 4.86 7.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 70.409999999999997 109.326 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 70.3 p 53.58 54.24 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 74.329999999999998 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 p -49.69 -21.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 74.439999999999998 110.364 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.96 -168.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 74.310000000000002 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -88.23 122.09 70.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 70.530000000000001 111.01 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -146.14 138.02 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 74.450000000000003 110.268 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -47.42 120.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 74.129999999999995 110.311 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -74.97 170.71 19.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 70.329999999999998 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.57 11.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 72.540000000000006 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -118.64 27.94 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.239999999999995 109.254 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.43 ' CG2' HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.94 -40.88 84.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 74.129999999999995 109.291 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' CB ' ' A' ' 97' ' ' ALA . 1.4 m -95.16 -24.51 16.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 73.019999999999996 110.025 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.611 ' CH2' ' HB2' ' A' ' 136' ' ' LEU . 2.9 t90 -74.62 -70.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 108.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -39.76 -55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -56.12 -50.66 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 74.439999999999998 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.549 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -51.55 -33.1 30.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 31.4 mtt180 -81.56 -23.65 37.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 74.109999999999999 110.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . 0.485 ' CD1' ' SD ' ' A' ' 46' ' ' MET . 1.3 tt -73.15 -43.62 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.443 ' CD1' ' CB ' ' A' ' 113' ' ' LEU . 6.9 m-85 -69.57 -14.94 63.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 73.299999999999997 110.966 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.82 -22.8 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 63.229999999999997 109.592 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -95.15 -32.95 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.298 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 12.5 mt -61.77 -28.84 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 73.409999999999997 109.314 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.11 -9.96 58.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 62.009999999999998 109.254 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -99.78 -20.68 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.420000000000002 110.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -89.05 -17.22 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.409999999999997 110.332 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp 76.02 30.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.54 -37.08 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 74.450000000000003 109.26 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . 0.441 ' SG ' ' CG2' ' A' ' 14' ' ' ILE . 3.6 m -136.01 150.88 72.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 70.439999999999998 108.302 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 75.319999999999993 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.04 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.400000000000006 109.286 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 37.4 m -53.75 -47.12 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.004 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . 0.47 HD11 ' CD ' ' A' ' 6' ' ' PRO . 2.0 mm? -62.42 -41.84 99.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.0 ttp180 -56.31 -33.81 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 73.010000000000005 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.519 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.8 OUTLIER -81.78 -66.03 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 109.268 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . 0.401 ' C ' ' O ' ' A' ' 115' ' ' ASP . 38.6 t -40.2 -39.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.129999999999995 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.438 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -64.61 -57.86 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 72.510000000000005 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.609 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.4 m-85 -49.41 -46.57 47.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 111.043 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.415 ' C ' ' N ' ' A' ' 121' ' ' ALA . 81.7 mt-30 -49.57 -66.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 73.329999999999998 110.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.71 -24.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 119' ' ' GLN . . . -78.44 -46.43 19.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 71.129999999999995 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.43 ' N ' HD21 ' A' ' 136' ' ' LEU . 1.5 m -61.52 -24.44 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.540000000000006 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.423 ' N ' HG21 ' A' ' 122' ' ' VAL . 30.6 mmt180 -75.89 -70.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 72.120000000000005 110.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -43.43 -27.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.514 HD12 ' CE3' ' A' ' 94' ' ' TRP . 6.2 mt -86.07 -46.54 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 63.130000000000003 109.267 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' SER . . . . . 0.409 ' N ' HD21 ' A' ' 133' ' ' LEU . 12.5 t -55.19 -51.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 110.01 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -54.01 42.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 73.409999999999997 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.439 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.01 4.75 16.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 75.209999999999994 110.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 m-20 40.25 36.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 73.129999999999995 109.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.439 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 12.5 t0 -40.16 157.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.89 3.3 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 62.140000000000001 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.87 -7.79 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.540000000000006 110.278 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -45.19 -69.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 74.140000000000001 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -49.43 -34.25 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.71 -30.6 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 71.319999999999993 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.611 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 39.9 tp -74.7 -40.39 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.450000000000003 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.466 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 45.9 mm-40 -63.01 -12.11 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 74.120000000000005 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -105.75 -21.25 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.519999999999996 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.05 -61.2 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 73.140000000000001 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.568 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -51.19 -21.78 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 35.0 mtm180 -85.35 -59.24 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.430000000000007 110.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -50.01 -22.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.304 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.411 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 5.7 mmp_? -83.66 -79.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 75.25 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -65.0 -55.24 20.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.219999999999999 108.254 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.57 62.5 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.585 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.1 OUTLIER -142.03 -169.43 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 73.230000000000004 108.022 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.49 59.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 71.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.575 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 7.7 tt -61.99 -34.46 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 75.230000000000004 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.466 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -52.19 -21.98 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 109.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 97.06 18.66 28.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 110.956 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.3 m-20 -86.37 165.16 34.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 75.109999999999999 109.302 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . 0.481 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.3 Cg_endo -74.99 0.38 8.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 64.219999999999999 110.994 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 56.02 21.36 31.0 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 63.200000000000003 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.74 17.18 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 72.310000000000002 109.983 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . 0.481 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 2.4 pp -131.57 150.66 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 74.349999999999994 109.265 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 110.306 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.606 -0.516 . . . . 70.439999999999998 109.606 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -126.93 151.78 48.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.209999999999994 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.01 178.46 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 60.25 109.258 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.68 43.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 72.030000000000001 108.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -98.54 171.41 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 74.450000000000003 110.416 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.13 -83.69 1.73 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 63.030000000000001 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' PRO . . . . . 0.528 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.94 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 74.329999999999998 111.034 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -170.14 179.51 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 63.229999999999997 109.967 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.505 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.2 OUTLIER -68.78 -52.42 17.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 74.400000000000006 109.285 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 -32.94 4.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 74.329999999999998 111.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . 0.422 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 73.8 m -44.15 -48.44 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 73.319999999999993 110.001 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.566 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.41 -41.14 88.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 75.310000000000002 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -63.54 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 74.310000000000002 110.956 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.71 -50.0 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.450000000000003 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.11 -18.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 72.329999999999998 109.329 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.507 ' CD2' ' O ' ' A' ' 46' ' ' MET . 1.9 tp -75.78 -33.59 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 72.540000000000006 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.71 8.44 75.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 72.519999999999996 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.5 17.15 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 72.349999999999994 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ALA . . . . . 0.446 ' CB ' ' HG2' ' A' ' 22' ' ' LYS . . . -88.1 -75.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 75.310000000000002 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 174.29 139.36 2.95 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 111.012 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' GLY . 12.7 tp60 -36.69 -64.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 72.400000000000006 110.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -58.7 -41.33 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.040000000000006 109.298 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.481 ' O ' ' CD1' ' A' ' 26' ' ' LEU . 3.3 tptt -44.19 -33.28 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.481 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.19 -59.72 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.019999999999996 109.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' HA ' ' CE ' ' A' ' 27' ' ' LYS . 48.5 mt -46.54 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 29' ' ' LYS . 5.8 t80 -35.91 -67.44 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 72.430000000000007 110.999 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.481 ' CD1' ' O ' ' A' ' 22' ' ' LYS . 15.3 mt -40.76 -56.41 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 75.230000000000004 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.53 ' CE ' ' HA ' ' A' ' 24' ' ' LEU . 3.0 ttpt -46.44 -64.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 75.239999999999995 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 54.1 m-70 -63.51 -9.54 13.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 74.239999999999995 109.623 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -91.18 -26.68 18.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 71.540000000000006 109.32 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LEU . . . . . 0.557 ' HB2' ' CD2' ' A' ' 44' ' ' HIS . 2.3 mt -90.42 -20.9 22.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 72.420000000000002 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 18.4 mmtt -36.43 -33.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 64.349999999999994 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.3 OUTLIER -105.64 107.67 59.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 110.35 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 135.79 19.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 64.530000000000001 111.022 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.0 165.16 33.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 74.0 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 63.450000000000003 110.986 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.44 12.77 37.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 72.030000000000001 111.029 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.92 115.2 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 70.430000000000007 108.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -9.65 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.219999999999999 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.87 -39.5 1.85 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.473 1.108 . . . . 75.430000000000007 110.963 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.531 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 9.4 tt0 -61.68 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 74.349999999999994 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASP . . . . . 0.459 ' HB3' ' CD1' ' A' ' 64' ' ' LEU . 5.2 t0 -48.13 -40.29 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.030000000000001 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -60.78 -52.27 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 72.5 109.302 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.472 ' O ' ' CG2' ' A' ' 47' ' ' VAL . 26.4 tp -58.5 -27.96 64.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 74.310000000000002 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' HIS . . . . . 0.557 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.5 t-160 -62.09 -24.13 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 72.120000000000005 109.581 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.466 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -88.27 -18.3 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 72.5 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' MET . . . . . 0.569 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.6 mtp -98.71 -12.77 20.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' A' ' 43' ' ' LEU . 85.0 t -86.7 -57.84 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 63.350000000000001 109.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -41.27 -43.96 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 73.319999999999993 109.32 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 4.9 mt -53.27 -48.56 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 75.019999999999996 109.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 47' ' ' VAL . 1.7 mmmp? -48.1 -24.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 74.129999999999995 109.334 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . 0.417 HD13 ' NZ ' ' A' ' 27' ' ' LYS . 0.7 OUTLIER -96.46 -32.29 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 74.099999999999994 109.339 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 102.62 8.27 43.44 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.164 . . . . 71.239999999999995 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 51' ' ' LEU . 1.5 pt20 -111.31 70.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 74.340000000000003 110.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.443 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.3 pt-20 -66.33 -18.55 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.299999999999997 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.25 -34.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 74.530000000000001 110.394 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 -43.47 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 110.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ALA . . . . . 0.466 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -46.17 -36.67 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 74.540000000000006 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -66.4 -51.39 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 72.5 110.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.58 -52.26 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 71.329999999999998 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -48.91 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 110.056 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.466 HD13 ' CB ' ' A' ' 74' ' ' ALA . 18.0 mt -56.31 -40.23 74.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 74.340000000000003 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.72 -14.12 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.230000000000004 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.8 10.66 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 74.25 109.32 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.459 ' CD1' ' HB3' ' A' ' 41' ' ' ASP . 13.4 mt -122.94 52.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 74.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -55.55 -19.74 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 75.299999999999997 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -54.88 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 60.409999999999997 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . 0.445 ' N ' ' OD1' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -68.69 128.92 38.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.200000000000003 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.37 -13.14 35.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 70.409999999999997 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.486 ' O ' ' CG2' ' A' ' 73' ' ' VAL . 33.3 t -76.03 -13.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.406 ' CB ' ' HB2' ' A' ' 64' ' ' LEU . . . -75.17 -54.0 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 55.409999999999997 109.294 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ARG . . . . . 0.432 ' CZ ' ' HA ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.94 -14.06 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 74.340000000000003 110.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.466 ' HA ' ' CZ ' ' A' ' 75' ' ' ARG . 0.3 OUTLIER -99.2 -30.84 12.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 109.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.57 HG12 ' CE3' ' A' ' 77' ' ' TRP . 15.1 t -82.35 -6.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 73.25 109.274 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . 0.545 ' O ' ' CB ' ' A' ' 78' ' ' ALA . . . -86.03 -36.07 19.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 75.400000000000006 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 6.3 ptt-85 -98.63 -6.4 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 74.140000000000001 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.2 tp-100 -89.99 -44.59 9.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 110.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.804 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.0 m-90 -107.58 -58.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 72.150000000000006 108.024 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ALA . . . . . 0.545 ' CB ' ' O ' ' A' ' 74' ' ' ALA . . . -55.79 -45.36 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 71.040000000000006 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 78.34 40.95 18.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' VAL . . . . . 0.411 ' O ' ' O ' ' A' ' 79' ' ' GLY . 16.3 m -61.01 -145.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 73.340000000000003 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.4 t0 -100.89 24.48 9.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 75.319999999999993 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 81' ' ' ASP . 81.0 p 36.48 50.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 65.310000000000002 109.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.75 -25.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.230000000000004 110.373 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.421 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 3.4 mt-10 -104.49 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.446 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -86.51 169.68 14.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 73.129999999999995 109.314 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.42 21.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 74.25 110.966 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 139.75 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.59 146.59 69.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 75.109999999999999 110.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PRO . . . . . 0.469 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.2 Cg_endo -75.01 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 61.340000000000003 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.46 19.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 63.509999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.423 ' N ' ' OD1' ' A' ' 91' ' ' ASP . 0.0 OUTLIER -119.25 24.53 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 71.5 109.31 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . 0.406 ' C ' ' O ' ' A' ' 91' ' ' ASP . 0.2 OUTLIER -40.19 -40.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 71.299999999999997 109.291 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' VAL . 3.2 m -106.45 -40.83 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 109.994 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' TRP . . . . . 0.591 ' CE2' ' NH2' ' A' ' 98' ' ' ARG . 3.3 t90 -43.06 -54.73 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 74.319999999999993 108.017 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ALA . . . . . . . . . . . . . . . -52.6 -41.04 63.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 109.311 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' SER . 21.6 t -62.96 -35.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 73.319999999999993 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' ALA . . . . . 0.446 ' CB ' ' HA ' ' A' ' 118' ' ' TYR . . . -73.1 -29.84 63.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 73.030000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 15.9 mtt180 -86.4 -18.21 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 73.349999999999994 110.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' LEU . . . . . . . . . . . . . 1.2 tt -83.95 -46.44 12.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.319999999999993 109.263 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -71.02 -7.06 43.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 75.019999999999996 110.987 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -79.51 -17.06 54.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.581 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.531 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.5 mt -97.11 -36.61 10.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 72.420000000000002 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 34.5 mt -62.16 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 75.430000000000007 109.284 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.23 -10.71 60.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 71.329999999999998 109.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.58 -19.65 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.339 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 106' ' ' GLU . 0.7 OUTLIER -90.23 -17.22 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 71.530000000000001 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 77.37 54.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 73.030000000000001 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 88.7 mt -117.87 -39.57 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.099999999999994 109.276 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.76 155.8 80.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.040000000000006 108.338 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.12 42.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 74.400000000000006 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -14.75 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 64.010000000000005 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.1 m -60.79 -46.04 92.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 75.349999999999994 109.991 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.92 -43.46 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.469 ' CD ' ' SG ' ' A' ' 144' ' ' CYS . 3.7 ttp180 -50.67 -34.91 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 110.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.463 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 4.2 m-20 -74.33 -68.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 62.6 t -40.05 -35.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.335 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -64.73 -57.32 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 109.328 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' TYR . . . . . 0.511 ' CD1' ' HB3' ' A' ' 140' ' ' ALA . 5.7 m-85 -51.37 -48.15 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.974 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLN . . . . . 0.406 ' C ' ' N ' ' A' ' 121' ' ' ALA . 78.7 mt-30 -45.31 -63.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 73.25 110.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -45.99 -25.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 73.219999999999999 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ALA . . . . . 0.412 ' CB ' ' O ' ' A' ' 118' ' ' TYR . . . -76.72 -46.77 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 74.530000000000001 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' VAL . . . . . 0.455 HG11 ' CD2' ' A' ' 136' ' ' LEU . 1.4 m -60.25 -24.39 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' LEU . 25.0 mmt180 -78.04 -69.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 74.219999999999999 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -39.92 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 74.019999999999996 110.389 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LEU . . . . . 0.576 HD23 ' CE3' ' A' ' 94' ' ' TRP . 4.7 mp -87.59 -58.91 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 70.329999999999998 109.318 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.2 t -41.22 -43.28 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 71.299999999999997 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 t -57.64 -57.51 12.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 73.099999999999994 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.444 ' NH2' ' HD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.95 5.88 14.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 75.329999999999998 110.276 -179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.1 m-20 43.09 36.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.140000000000001 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ASP . . . . . 0.444 ' HD2' ' NH2' ' A' ' 128' ' ' ARG . 11.7 t0 -41.47 153.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -76.75 -3.67 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 109.593 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.53 -1.25 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.400000000000006 110.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.43 ' CD1' ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -52.83 -69.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 75.129999999999995 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . 0.43 ' N ' ' CD1' ' A' ' 133' ' ' LEU . . . -47.62 -34.48 10.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 71.150000000000006 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.55 -35.3 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 73.420000000000002 110.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' LEU . . . . . 0.541 ' HB2' ' CH2' ' A' ' 94' ' ' TRP . 5.4 tt -71.47 -40.04 70.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 54.219999999999999 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLN . . . . . 0.495 ' HB3' ' CB ' ' A' ' 149' ' ' ALA . 48.2 mm-40 -63.14 -11.11 17.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.219999999999999 110.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' ASP . . . . . 0.466 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 31.0 t0 -107.9 -7.43 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 141' ' ' ARG . 26.5 tt0 -100.51 -51.85 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 70.120000000000005 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' ALA . . . . . 0.511 ' HB3' ' CD1' ' A' ' 118' ' ' TYR . . . -47.29 -24.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 75.129999999999995 109.253 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.4 ptp180 -94.86 -44.52 7.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 72.420000000000002 110.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' ASN . . . . . 0.518 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 25.8 t-20 -65.36 -9.69 26.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' ARG . . . . . 0.503 ' CB ' ' OH ' ' A' ' 118' ' ' TYR . 15.2 mmp_? -103.92 -41.12 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 72.450000000000003 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -103.27 -56.48 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 72.540000000000006 108.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 107.58 70.27 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.41 1.069 . . . . 74.530000000000001 110.986 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' TRP . . . . . 0.592 ' CD1' ' HB3' ' A' ' 144' ' ' CYS . 0.5 OUTLIER -156.67 -172.69 4.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 75.019999999999996 108.006 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.29 63.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.310000000000002 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' ILE . . . . . 0.584 ' HB ' ' CZ2' ' A' ' 146' ' ' TRP . 5.3 tt -64.41 -23.49 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 74.450000000000003 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . 0.495 ' CB ' ' HB3' ' A' ' 137' ' ' GLN . . . -73.78 -4.11 32.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 73.450000000000003 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 78.29 29.74 52.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 110.98 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.16 158.77 74.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 75.400000000000006 109.264 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.39 12.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 73.140000000000001 111.009 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.62 68.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 71.040000000000006 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.3 m 59.0 53.82 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 74.129999999999995 110.006 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 2.6 pt -133.62 161.07 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 75.409999999999997 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 74.400000000000006 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.984 -0.846 . . . . 64.25 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.1 Cg_endo -74.95 -167.38 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 62.450000000000003 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.52 168.49 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.43 109.999 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -63.21 -54.79 42.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 73.140000000000001 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.11 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 60.229999999999997 111.037 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -55.53 -42.52 74.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 110.007 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.955 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.61 -24.35 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 63.240000000000002 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.84 -35.91 64.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 111.015 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 64.010000000000005 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.564 HD13 ' SG ' ' A' ' 109' ' ' CYS . 40.6 mt -71.48 -21.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.129999999999995 109.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.93 HD22 HG22 ' A' ' 47' ' ' VAL . 3.0 mt -71.07 -59.43 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 52.420000000000002 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.31 -6.43 53.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 61.119999999999997 110.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.34 6.38 44.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 54.340000000000003 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -90.76 -64.65 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 60.219999999999999 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.73 136.0 1.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 65.120000000000005 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 31.0 tp60 -35.88 -67.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 72.430000000000007 110.248 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -55.97 -38.0 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.009999999999998 109.327 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.5 tptt -48.53 -31.15 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 71.540000000000006 109.349 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -72.59 -50.0 28.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 54.409999999999997 109.299 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.62 -46.43 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 64.340000000000003 109.268 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -55.64 -75.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.329999999999998 111.027 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 29.2 mt -40.79 -56.14 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.5 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' ' 51' ' ' LEU . 2.3 ttmt -43.6 -63.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.273 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 38.7 m80 -52.58 -27.24 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.59 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.9 tttp -79.49 -28.79 41.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.230000000000004 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 44' ' ' HIS . 4.1 mt -78.34 -25.46 46.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 60.409999999999997 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.4 mmtt -39.85 -33.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 63.109999999999999 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 32' ' ' THR . 1.1 m -113.66 94.72 33.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 75.209999999999994 110.366 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.89 42.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 62.210000000000001 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -97.65 158.73 32.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 110.282 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 75.430000000000007 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.87 24.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 111.021 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.48 127.12 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.998 . . . . 73.230000000000004 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -127.26 0.44 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 61.149999999999999 110.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.64 -28.79 6.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.658 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -79.2 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 75.219999999999999 110.338 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.891 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.3 t0 -44.66 -39.71 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 73' ' ' VAL . 26.9 tp -66.23 -47.69 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.952 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.3 tp -61.06 -28.7 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 64.329999999999998 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.827 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.1 t-160 -57.79 -46.37 84.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 54.030000000000001 109.593 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 57' ' ' ALA . . . -71.58 -32.97 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 71.200000000000003 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 81.2 mtp -74.89 -12.93 60.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 64.420000000000002 110.993 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 43' ' ' LEU . 75.2 t -95.25 -30.13 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 74.310000000000002 109.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 53' ' ' GLN . 1.2 mm? -56.52 -51.37 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 109.313 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 45' ' ' ALA . 1.4 mm? -50.38 -52.36 37.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.310000000000002 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 7.1 mmmt -40.29 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 63.420000000000002 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.53 -44.06 9.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 73.510000000000005 109.264 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.52 13.87 7.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 41.200000000000003 111.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.515 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -121.91 84.02 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 64.140000000000001 110.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.1 pt-20 -76.47 -19.92 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 50.520000000000003 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.87 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 110.389 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -90.07 -45.77 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 64.019999999999996 110.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 65.129999999999995 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.01 -44.84 91.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 75.450000000000003 110.343 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -64.23 -56.14 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 63.210000000000001 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -50.5 -53.02 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.150000000000006 110.001 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 70' ' ' ALA . 6.1 mt -54.21 -48.65 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 34.450000000000003 109.299 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -63.08 -12.75 28.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 110.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.56 13.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.891 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.6 mt -129.49 47.74 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -47.65 -34.31 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.019999999999996 109.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.58 -57.22 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 34.340000000000003 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.848 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -69.42 122.28 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 74.340000000000003 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.4 -12.87 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 61.219999999999999 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.823 HG11 ' HB3' ' A' ' 95' ' ' ALA . 51.3 t -76.51 -17.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 52.130000000000003 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -82.51 -41.72 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 61.109999999999999 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -68.24 -18.81 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.921 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -93.72 -23.39 18.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.5 109.336 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.849 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -82.19 -6.3 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.510000000000005 109.253 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.072 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.26 -36.22 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 61.539999999999999 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.921 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt-85 -98.8 -5.52 31.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.540000000000006 110.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.9 tp-100 -89.09 -45.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.409999999999997 110.365 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.849 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 25.1 m-90 -109.51 -61.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 108.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.072 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.3 -24.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.200000000000003 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 74.32 19.21 79.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.441 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.6 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 64.349999999999994 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.32 -0.252 . . . . 75.140000000000001 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.98 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 74.230000000000004 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.1 13.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 72.439999999999998 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.582 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 53.0 m-20 -101.08 26.21 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 71.310000000000002 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.95 -43.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 53.100000000000001 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.4 m -106.23 -35.3 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 55.030000000000001 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.051 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.3 t90 -46.32 -53.14 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.99 -1.115 . . . . 74.439999999999998 107.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.823 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -56.14 -33.31 65.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 44.539999999999999 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' SER . 16.5 t -72.34 -22.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.297 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -86.38 -34.13 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 73.340000000000003 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 16.3 mtt180 -80.06 -31.77 39.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 75.239999999999995 110.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.877 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -66.56 -44.8 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.955 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m-85 -71.38 -23.12 61.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.417 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 4.4 t60 -60.13 -23.61 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 109.579 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -96.87 -26.66 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 65.040000000000006 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.886 HD23 ' OE2' ' A' ' 106' ' ' GLU . 90.8 mt -67.33 -28.94 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.040000000000006 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.894 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.13 -3.2 34.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 55.149999999999999 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -99.76 -20.14 16.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.099999999999994 110.296 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.886 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.19 7.49 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 63.039999999999999 110.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 58.47 50.94 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 75.010000000000005 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 14' ' ' ILE . 19.0 mt -109.17 -30.69 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.329999999999998 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.564 ' SG ' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -152.59 145.49 17.41 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 108.318 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.98 150.36 38.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 65.430000000000007 111.039 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.08 -25.59 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.25 109.263 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 116' ' ' VAL . 43.7 m -45.63 -35.15 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.420000000000002 110.014 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 110' ' ' PRO . 2.9 mm? -77.53 -51.57 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 75.019999999999996 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.894 HH21 ' CB ' ' A' ' 104' ' ' ALA . 15.0 ttm180 -50.42 -24.81 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 73.310000000000002 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.524 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.71 -69.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.530000000000001 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 112' ' ' SER . 91.6 t -39.84 -38.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 43.009999999999998 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.49 -56.1 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.049999999999997 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -49.81 -38.59 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.219999999999999 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.409 ' HA ' HD11 ' A' ' 148' ' ' ILE . 82.3 mt-30 -57.68 -57.19 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 63.200000000000003 110.352 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -53.43 -21.74 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.049999999999997 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.83 -23.7 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 71.510000000000005 109.297 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.699 HG13 ' OE1' ' A' ' 137' ' ' GLN . 3.4 t -82.56 -22.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 75.049999999999997 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -31.82 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 74.439999999999998 110.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.9 t -71.19 -40.51 71.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 71.329999999999998 110.407 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 90.1 mt -75.39 -36.79 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 133' ' ' LEU . 5.8 m -71.56 -37.63 71.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -64.8 -36.3 83.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 65.409999999999997 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -103.74 5.38 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.120000000000005 110.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 17.1 t0 40.46 49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -53.93 178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 61.130000000000003 109.311 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -90.33 -5.65 55.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 64.209999999999994 109.63 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.69 5.05 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.510000000000005 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -51.77 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 62.219999999999999 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.68 -34.32 14.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 65.540000000000006 110.966 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -34.76 78.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 70.129999999999995 110.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 94' ' ' TRP . 49.3 tp -75.75 -35.92 60.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.699 ' OE1' HG13 ' A' ' 122' ' ' VAL . 38.9 mm-40 -66.47 -16.29 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.010000000000005 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -106.48 -18.57 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 63.549999999999997 109.307 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.74 -59.65 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.230000000000004 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -52.22 -20.97 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 53.409999999999997 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLY . 35.4 mtm180 -85.68 -59.89 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.019999999999996 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.67 -22.78 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.61 -78.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 110.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.36 -55.68 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 70.510000000000005 108.339 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.55 64.37 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 72.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.781 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.46 -169.06 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.997 -1.112 . . . . 61.43 107.997 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -117.51 60.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 63.130000000000003 109.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.781 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.7 tt -63.55 -37.38 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.259 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -43.01 -31.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.439999999999998 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 44.109999999999999 111.025 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.99 -0.844 . . . . 63.020000000000003 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.793 ' HB3' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -75.0 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 74.299999999999997 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.51 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 6.8 p -179.9 157.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 55.200000000000003 109.999 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.861 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -56.82 -49.44 93.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 44.32 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -21.95 15.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 52.399999999999999 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.51 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 7.0 t -63.73 -39.96 95.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 70.129999999999995 110.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.081 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -70.35 -26.87 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 43.130000000000003 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -75.13 -34.3 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 62.119999999999997 111.026 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.53 -39.83 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 74.200000000000003 109.343 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.705 HG21 ' SG ' ' A' ' 109' ' ' CYS . 7.7 mt -67.64 -21.17 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.973 HD11 HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -68.59 -58.78 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.540000000000006 109.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -7.18 52.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 74.310000000000002 111.038 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.64 14.65 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 71.219999999999999 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.857 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.31 -76.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 52.130000000000003 109.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.3 136.9 2.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 40.399999999999999 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 18.7 tp60 -37.56 -58.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 64.549999999999997 110.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -37.87 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 63.450000000000003 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.857 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 7.0 tptt -47.49 -31.45 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 75.239999999999995 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.1 -63.34 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 72.349999999999994 109.319 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.3 mt -41.55 -50.31 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 63.439999999999998 109.357 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.51 -53.32 59.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 55.350000000000001 111.015 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 108' ' ' LEU . 19.1 mt -67.51 -10.91 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -86.63 -31.53 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 74.310000000000002 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.541 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 34.8 m80 -103.2 -0.87 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 71.439999999999998 109.616 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -20.08 20.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 40' ' ' GLN . 3.3 mt -105.9 13.35 29.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 52.030000000000001 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 16.3 mmtt -67.54 -24.14 65.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 53.049999999999997 109.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -114.02 91.56 23.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 110.423 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.23 40.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 65.349999999999994 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.536 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.74 168.43 9.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.150000000000006 110.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.52 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 53.009999999999998 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.14 7.55 32.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 53.530000000000001 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 14.2 p -67.71 126.36 29.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 61.5 108.322 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -127.13 0.23 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.230000000000004 110.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -112.09 -28.37 3.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 72.040000000000006 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.825 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.48 -63.66 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 35.420000000000002 110.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.9 t0 -50.73 -42.44 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.281 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.592 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.19 -56.82 17.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 63.340000000000003 109.267 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 103' ' ' LEU . 1.8 tt -55.46 -30.46 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.5 t-160 -54.47 -31.47 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 71.200000000000003 109.612 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -86.53 -22.57 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 30.109999999999999 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.604 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 65.7 mtp -84.73 -9.9 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 64.299999999999997 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 43' ' ' LEU . 91.5 t -95.46 -55.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.400000000000006 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.4 mm? -39.96 -50.48 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.4 mp -49.51 -53.23 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 64.099999999999994 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 6.9 mmmt -40.4 -31.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mt -88.6 -44.24 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 54.409999999999997 109.261 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 115.42 16.02 7.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 71.109999999999999 110.999 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -121.09 70.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.519999999999996 110.367 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.02 -19.06 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 55.25 110.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.45 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 63.539999999999999 110.388 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -45.26 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.329999999999998 110.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -45.17 -40.21 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 73.239999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.57 -48.97 78.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 63.439999999999998 110.24 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -54.25 -60.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -39.22 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.099999999999994 110.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.2 mt -62.13 -38.18 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 73.109999999999999 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.03 -13.19 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 110.279 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 8.17 19.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.9 mt -127.12 53.76 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 75.129999999999995 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -31.14 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 61.219999999999999 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -60.67 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 55.200000000000003 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.759 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.7 m-20 -53.95 113.08 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.219999999999999 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -81.9 -0.55 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.6 t -95.39 -14.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.549999999999997 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.867 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -76.34 -22.0 55.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 55.399999999999999 109.267 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.489 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -88.08 -34.5 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 63.219999999999999 110.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -80.38 -39.3 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 109.303 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 69' ' ' VAL . 45.9 t -65.81 -10.98 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 75.129999999999995 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -80.98 -62.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 64.239999999999995 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.713 ' CA ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.29 -7.43 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.349999999999994 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.8 tp-100 -88.58 -40.63 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 62.32 110.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.781 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.0 m-90 -114.81 -59.09 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 108.048 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.58 -37.1 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.88 29.13 55.32 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 72.450000000000003 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG22 ' CA ' ' A' ' 75' ' ' ARG . 23.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 75.120000000000005 109.304 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.26 -0.274 . . . . 74.340000000000003 110.26 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.533 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.0 Cg_endo -75.08 173.92 13.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 74.099999999999994 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.81 21.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 71.230000000000004 111.05 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -110.28 27.07 9.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.150000000000006 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.776 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.78 -74.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 43.200000000000003 109.297 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.584 ' H ' HG13 ' A' ' 92' ' ' VAL . 3.5 m -72.96 -46.88 49.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 110.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.116 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.7 t90 -41.22 -66.2 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.349999999999994 107.968 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.29 -55.13 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.120000000000005 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 8' ' ' LEU . 29.8 t -47.97 -41.69 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 72.450000000000003 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -61.53 -47.06 87.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 70.120000000000005 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 91' ' ' ASP . 24.1 mtt180 -68.06 -24.16 65.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 72.120000000000005 110.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.695 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.49 -50.05 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 44.329999999999998 109.325 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.081 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.8 m-85 -67.95 -22.03 65.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 110.987 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.74 -23.05 62.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.6 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt -97.15 -31.07 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.019999999999996 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 43' ' ' LEU . 87.2 mt -64.42 -14.97 59.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.6 -12.33 57.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 71.109999999999999 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.68 -20.35 16.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 110.319 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.56 -18.75 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.319999999999993 110.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 79.19 26.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 75.420000000000002 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 26' ' ' LEU . 34.9 mt -96.13 -37.66 10.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 53.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.705 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.2 m -139.16 140.45 26.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 62.509999999999998 108.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.75 42.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 61.009999999999998 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.699 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -67.73 -10.66 54.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 73.420000000000002 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.2 m -55.15 -29.88 58.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 55.32 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 6' ' ' PRO . 6.7 mp -86.11 -45.2 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.319999999999993 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.699 HH21 ' HB2' ' A' ' 111' ' ' ALA . 4.3 ttp180 -40.04 -29.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.254 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.548 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 14.5 m-20 -79.71 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 t -40.15 -44.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 71.310000000000002 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -60.31 -61.46 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.109999999999999 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.546 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.7 m-85 -45.51 -41.25 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 74.310000000000002 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 122' ' ' VAL . 76.5 mt-30 -55.95 -63.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 50.530000000000001 110.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.42 -28.32 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 110.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.24 -28.15 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 34.350000000000001 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.706 HG22 HE22 ' A' ' 137' ' ' GLN . 19.3 t -76.93 -8.55 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 74.530000000000001 109.273 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 126' ' ' SER . 37.1 mmt180 -89.8 -71.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.399999999999999 110.237 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.684 HG23 ' CD2' ' A' ' 125' ' ' LEU . 11.7 t -35.74 -39.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 110.405 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.684 ' CD2' HG23 ' A' ' 124' ' ' THR . 0.6 OUTLIER -66.73 -56.2 11.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 72.150000000000006 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ARG . 11.2 t -52.89 -47.95 67.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.012 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.8 t -52.37 -57.22 10.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.497 ' CZ ' ' OD2' ' A' ' 130' ' ' ASP . 12.6 ptt180 -79.91 3.68 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 70.510000000000005 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 54.1 t0 38.42 46.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 63.100000000000001 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.497 ' OD2' ' CZ ' ' A' ' 128' ' ' ARG . 1.6 t0 -58.29 175.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.510000000000005 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -92.74 -5.98 50.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 71.400000000000006 109.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -103.61 2.49 33.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.409999999999997 110.305 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.652 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -58.0 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 60.439999999999998 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.652 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.89 -28.9 18.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 63.25 111.056 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.55 -34.28 73.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 74.040000000000006 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 94' ' ' TRP . 59.3 tp -72.86 -38.75 66.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 61.119999999999997 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.706 HE22 HG22 ' A' ' 122' ' ' VAL . 50.0 mm-40 -61.39 -17.8 55.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 52.049999999999997 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -106.46 -2.68 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 54.310000000000002 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 4.8 tt0 -98.62 -45.81 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.340000000000003 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.42 -14.87 63.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.019999999999996 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.0 mtm180 -95.83 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -50.59 -22.4 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 65.230000000000004 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.5 mmp_? -85.81 -79.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 73.340000000000003 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.2 -55.74 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.329999999999998 108.309 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.52 68.28 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 53.399999999999999 111.045 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -171.95 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.104 . . . . 74.230000000000004 108.018 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.44 61.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 75.120000000000005 109.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.5 tt -72.51 -34.85 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.120000000000005 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -47.28 -26.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 71.120000000000005 111.0 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.84 . . . . 64.439999999999998 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.807 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 73.019999999999996 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 177.54 147.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.310000000000002 109.975 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.708 HD13 HG22 ' A' ' 96' ' ' VAL . 52.2 tp -55.45 -45.17 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 72.409999999999997 109.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -22.28 15.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 61.350000000000001 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -63.04 -40.79 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 71.340000000000003 109.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.31 -26.77 66.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 71.219999999999999 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.58 -38.14 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 111.033 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.51 -36.99 71.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 54.219999999999999 109.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' SG ' ' A' ' 109' ' ' CYS . 22.1 mt -68.55 -25.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 63.009999999999998 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -62.84 -56.77 14.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 61.149999999999999 109.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.69 44.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 73.409999999999997 111.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.12 15.6 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 60.43 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -98.17 -73.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 44.240000000000002 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 174.49 136.7 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 64.310000000000002 110.976 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -40.62 -52.36 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 74.140000000000001 110.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.03 -31.89 66.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 109.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptm -53.58 -27.98 29.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.400000000000006 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -78.91 -59.39 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.420000000000002 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 51' ' ' LEU . 2.6 mm? -47.06 -57.84 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -47.99 -71.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 71.150000000000006 110.98 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 90.6 mt -38.58 -50.17 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.25 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HG2' ' NE2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -52.55 -53.06 51.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.285 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.433 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.8 m80 -59.55 -16.01 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.239999999999995 109.59 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -85.62 -49.68 7.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.200000000000003 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.46 -13.59 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 52.240000000000002 109.291 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 30.6 mmtt -39.28 -41.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 51.520000000000003 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -101.22 108.76 56.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 55.329999999999998 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.57 18.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.551 1.816 . . . . 54.399999999999999 111.02 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -86.95 164.1 37.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 70.25 110.274 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 54.409999999999997 110.974 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 22.11 18.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 64.510000000000005 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -79.74 118.75 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.305 -0.998 . . . . 50.509999999999998 108.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -120.93 -5.45 9.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 75.5 110.259 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.77 -34.32 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 43.229999999999997 110.998 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.622 ' HG2' HD22 ' A' ' 30' ' ' LEU . 4.0 tt0 -69.11 -61.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 74.540000000000006 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.805 ' CB ' HD21 ' A' ' 64' ' ' LEU . 15.8 t0 -56.11 -42.52 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 63.399999999999999 109.325 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.932 HD21 HG21 ' A' ' 73' ' ' VAL . 2.1 tt -58.54 -55.06 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.29 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 99' ' ' LEU . 5.4 tp -58.08 -27.0 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.7 t-160 -57.46 -40.5 78.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.631 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -76.52 -33.82 58.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 72.219999999999999 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.601 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 61.7 mtp -75.39 -13.99 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 75.230000000000004 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 15' ' ' LEU . 70.4 t -95.31 -49.8 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 70.120000000000005 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -40.35 -51.86 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.275 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.3 mp -50.33 -53.5 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 63.420000000000002 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -41.67 -29.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.209999999999994 109.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 24' ' ' LEU . 3.5 mt -88.94 -44.2 10.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 74.049999999999997 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.41 14.02 7.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 74.349999999999994 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -124.86 82.11 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 71.530000000000001 110.354 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.8 pt-20 -75.08 -17.41 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.35 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 60.299999999999997 110.383 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.27 -41.58 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 110.263 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -48.37 -36.29 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.39 -47.9 77.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -58.22 -50.02 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.439999999999998 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.17 -52.7 64.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.5 109.996 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 70' ' ' ALA . 8.1 mt -58.64 -29.68 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -85.87 -14.46 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 72.319999999999993 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.57 14.3 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 70.299999999999997 109.302 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.805 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.2 mt -130.49 54.07 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 70.099999999999994 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 3.7 mppt? -54.15 -37.57 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.85 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 35.219999999999999 109.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -71.32 124.54 24.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 73.549999999999997 109.317 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.75 -14.14 40.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 91' ' ' ASP . 47.0 t -76.05 -25.97 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 41.329999999999998 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.843 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -71.45 -45.75 61.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 62.049999999999997 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 4.4 mtm-85 -65.9 -27.75 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.420000000000002 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.902 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -85.5 -34.22 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.369 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.932 HG21 HD21 ' A' ' 42' ' ' LEU . 7.8 t -67.76 -10.64 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.72 -60.45 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.902 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt85 -74.19 -8.09 54.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 55.439999999999998 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.2 tp60 -88.51 -40.57 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.329999999999998 110.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.8 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.7 m-90 -116.81 -58.88 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 75.209999999999994 107.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.1 -21.02 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 63.530000000000001 109.268 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 59.21 31.66 69.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.646 HG22 ' N ' ' A' ' 75' ' ' ARG . 27.5 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.439999999999998 109.314 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.301 -0.259 . . . . 72.519999999999996 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 170.34 20.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 52.030000000000001 111.031 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.64 20.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.478 1.778 . . . . 62.530000000000001 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.825 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.5 m-20 -116.8 27.15 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 74.200000000000003 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -39.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.306 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -101.92 -37.86 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 73.409999999999997 110.004 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -49.72 -58.2 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 71.409999999999997 107.988 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.803 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -47.67 -25.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 72.420000000000002 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 8' ' ' LEU . 2.7 t -84.35 -38.76 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 61.539999999999999 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.671 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.22 -30.65 71.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 63.130000000000003 109.344 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 9.2 mtt180 -85.06 -26.46 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.040000000000006 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 43' ' ' LEU . 5.2 tt -74.4 -47.6 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.549999999999997 109.275 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -69.17 -18.16 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 111.009 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.557 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.4 t60 -66.95 -24.68 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 63.229999999999997 109.589 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -94.53 -32.42 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.38 -22.67 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 72.510000000000005 109.313 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.811 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.88 -10.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 64.209999999999994 109.249 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -99.69 -20.16 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.219999999999999 110.288 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.48 -11.79 47.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 64.530000000000001 110.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt 69.56 27.46 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 71.400000000000006 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.36 -39.24 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.329999999999998 109.346 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.922 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.2 m -138.97 153.35 71.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 74.25 108.29 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.31 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 70.219999999999999 110.995 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.59 59.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 34.539999999999999 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 p -56.18 -26.75 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.019999999999996 110.04 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.807 HD12 ' CB ' ' A' ' 6' ' ' PRO . 4.4 mm? -82.84 -50.72 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.811 HH21 ' CB ' ' A' ' 104' ' ' ALA . 10.7 ttm180 -50.36 -23.62 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 110.263 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.7 OUTLIER -81.26 -69.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 73.340000000000003 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.501 HG12 ' OE2' ' A' ' 120' ' ' GLU . 75.7 t -42.2 -37.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.239999999999995 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -62.07 -61.31 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 53.32 109.261 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.9 m-85 -44.11 -36.93 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 111.02 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' VAL . 84.7 mt-30 -60.04 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 44.240000000000002 110.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.501 ' OE2' HG12 ' A' ' 116' ' ' VAL . 15.4 mt-10 -47.85 -23.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 72.319999999999993 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.08 -34.95 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 HE22 ' A' ' 137' ' ' GLN . 13.9 t -72.15 -10.12 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.209999999999994 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' SER . 14.3 mmt180 -89.19 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.439999999999998 110.278 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 125' ' ' LEU . 7.5 t -40.55 -39.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 72.200000000000003 110.395 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.563 HD13 ' CB ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -65.48 -47.11 77.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.030000000000001 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 123' ' ' ARG . 36.3 t -64.34 -60.37 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.4 t -39.14 -58.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.150000000000006 110.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -74.33 -23.29 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 71.040000000000006 110.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.4 t70 64.54 52.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 125' ' ' LEU . 29.5 t0 -59.53 174.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 62.210000000000001 109.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -88.27 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.510000000000005 109.633 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.504 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -113.99 -2.1 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.296 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -47.0 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 64.25 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.619 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.88 -33.32 43.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 54.439999999999998 110.985 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.34 -29.96 70.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 55.130000000000003 110.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.8 tp -77.56 -37.28 51.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 72.140000000000001 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.678 HE22 HG22 ' A' ' 122' ' ' VAL . 59.5 mm-40 -62.36 -18.66 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 75.420000000000002 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -106.56 -2.44 21.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 74.030000000000001 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 3.3 tt0 -98.12 -45.28 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 71.340000000000003 110.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.28 -13.04 61.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 72.010000000000005 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.583 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.6 mtm180 -98.3 -58.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 72.140000000000001 110.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -50.66 -22.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.5 mmp_? -85.39 -78.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.319999999999993 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.73 -55.59 22.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 51.520000000000003 108.294 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.73 66.98 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 111.045 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.78 -171.46 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 74.010000000000005 108.021 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -112.26 61.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.040000000000006 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.3 tt -72.78 -25.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 61.130000000000003 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.583 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -58.49 -18.06 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 35.329999999999998 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 110.967 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 71.409999999999997 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.753 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.93 -169.9 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 54.240000000000002 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.15 174.13 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.69 -52.31 34.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 73.239999999999995 109.281 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -27.37 10.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 62.43 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -50.42 -46.79 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 65.310000000000002 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -63.08 -34.53 77.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.099999999999994 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -68.76 -38.06 79.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 62.439999999999998 111.005 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -51.49 51.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.27 -14.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 52.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tp -80.62 -40.4 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 55.439999999999998 109.289 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -80.82 -1.31 89.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 73.150000000000006 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.33 18.76 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 45.130000000000003 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.864 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -89.84 -75.24 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 54.140000000000001 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 179.02 136.28 2.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 54.240000000000002 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.1 tp60 -38.11 -55.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 74.340000000000003 110.249 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -69.07 -35.65 76.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 54.140000000000001 109.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.864 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 9.4 tptt -47.22 -31.37 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.009999999999998 109.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.2 -59.15 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 64.519999999999996 109.331 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -46.54 -58.2 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.540000000000006 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.4 t80 -45.73 -71.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 110.98 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 28.4 mt -39.69 -56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 60.25 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD11 ' A' ' 51' ' ' LEU . 1.3 ttmt -45.07 -63.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 73.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 49.0 m80 -51.03 -22.7 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 63.009999999999998 109.612 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 2.5 tttp -85.27 -31.0 23.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 72.140000000000001 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.721 HD22 ' CG ' ' A' ' 40' ' ' GLN . 3.5 mt -80.95 -20.09 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 71.349999999999994 109.348 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.6 mmtt -38.4 -36.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.540000000000006 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.31 108.31 40.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 41.509999999999998 110.363 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.1 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.47 1.774 . . . . 54.119999999999997 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.85 159.96 56.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 75.409999999999997 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.08 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 52.530000000000001 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.18 28.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 110.986 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.07 124.68 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 73.299999999999997 108.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -125.52 -1.16 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 75.450000000000003 110.289 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.8 -28.78 5.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 75.549999999999997 111.052 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.721 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.3 tt0 -76.59 -60.7 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 74.519999999999996 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.892 ' CB ' HD21 ' A' ' 64' ' ' LEU . 11.7 t0 -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 73.299999999999997 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HG21 ' A' ' 73' ' ' VAL . 24.6 tp -66.04 -47.5 74.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 75.310000000000002 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.783 HD13 HD11 ' A' ' 99' ' ' LEU . 27.1 tp -61.57 -29.92 70.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 61.43 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.578 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.0 t-160 -62.05 -27.52 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 63.25 109.553 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -84.49 -17.44 39.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 64.549999999999997 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 35.7 mtp -98.66 -20.33 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 71.530000000000001 111.029 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 43' ' ' LEU . 40.2 t -76.76 -48.42 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.310000000000002 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.2 mm? -47.13 -50.41 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 64.209999999999994 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.1 mt -47.06 -53.17 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 71.040000000000006 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 3.0 mmmt -40.38 -35.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 75.319999999999993 109.277 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 27' ' ' LYS . 1.9 mt -83.49 -44.7 14.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 63.240000000000002 109.334 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.84 13.32 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 74.400000000000006 110.984 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.1 pt20 -121.45 80.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 63.340000000000003 110.352 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -74.65 -17.51 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 110.347 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -38.23 -34.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 62.009999999999998 110.416 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.7 mp0 -89.21 -45.48 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 55.119999999999997 110.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.34 -39.2 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -61.08 -47.03 88.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 61.310000000000002 110.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -60.32 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 p -45.47 -50.16 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.25 110.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 7.3 mt -53.65 -49.77 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.21 -13.97 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 110.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -82.6 5.0 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.430000000000007 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.892 HD21 ' CB ' ' A' ' 41' ' ' ASP . 10.9 mt -118.7 47.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 55.109999999999999 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -49.88 -24.98 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 71.5 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.82 34.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.281 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.6 t0 -158.6 129.41 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -87.68 -31.16 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 53.240000000000002 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 95' ' ' ALA . 10.7 t -55.16 -22.24 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.345 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.612 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.87 -45.18 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.275 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -12.68 60.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 110.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -97.38 -25.72 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.030000000000001 109.284 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.88 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 7.0 t -87.7 -6.46 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.329999999999998 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.999 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -85.18 -35.42 21.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.694 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.3 ptt-85 -98.3 -6.15 31.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.310000000000002 110.29 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 4.1 tp-100 -91.3 -44.14 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.88 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 23.8 m-90 -107.25 -58.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 74.430000000000007 107.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -56.65 -43.17 80.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 65.430000000000007 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.2 42.27 29.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 71.540000000000006 110.99 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 79' ' ' GLY . 25.9 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 63.119999999999997 109.257 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.271 -0.27 . . . . 70.450000000000003 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.92 173.38 14.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 72.310000000000002 111.009 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.86 18.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 71.450000000000003 110.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -108.64 27.16 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 64.030000000000001 109.244 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -39.99 -69.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 64.439999999999998 109.321 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.538 ' H ' HG13 ' A' ' 92' ' ' VAL . 58.0 m -80.91 -43.92 19.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 71.109999999999999 110.049 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.035 ' CD2' HD12 ' A' ' 136' ' ' LEU . 3.2 t90 -41.74 -66.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 108.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.43 -53.5 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 60.43 109.293 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 92' ' ' VAL . 29.6 t -50.24 -43.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.019999999999996 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.84 -28.91 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 62.140000000000001 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.576 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 34.6 mtt180 -82.14 -21.33 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.783 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -80.26 -41.75 24.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 63.329999999999998 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.3 m-85 -70.25 -29.04 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 71.420000000000002 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -56.47 -19.3 14.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 55.420000000000002 109.549 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.2 mt -95.66 -25.17 16.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 71.340000000000003 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.883 HD23 ' OE2' ' A' ' 106' ' ' GLU . 75.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.267 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.94 -4.88 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.16 -19.73 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.519999999999996 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.883 ' OE2' HD23 ' A' ' 103' ' ' LEU . 1.9 pt-20 -107.63 -7.96 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.439999999999998 110.297 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 71.96 46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.308 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.752 HD12 ' CD2' ' A' ' 103' ' ' LEU . 9.8 mt -99.33 -27.64 13.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 62.200000000000003 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 27.2 p -154.51 151.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 75.219999999999999 108.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.423 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.3 Cg_endo -74.97 144.66 30.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 50.399999999999999 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.7 -26.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 53.539999999999999 109.275 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 110' ' ' PRO . 15.4 m -45.83 -45.86 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 62.299999999999997 110.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -63.61 -48.01 79.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.264 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.3 ttp180 -50.38 -26.45 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 70.120000000000005 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 15.7 m-20 -86.05 -68.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 75.510000000000005 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' ASP . 72.6 t -39.34 -34.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.349999999999994 109.242 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -70.3 -53.66 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.030000000000001 109.245 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.77 -40.67 66.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 70.409999999999997 111.034 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 122' ' ' VAL . 83.1 mt-30 -52.2 -64.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.420000000000002 110.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -44.97 -27.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -79.04 -45.47 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 65.530000000000001 109.334 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.662 HG13 ' OE1' ' A' ' 137' ' ' GLN . 48.8 t -53.63 -20.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.4 mmt180 -89.4 -66.12 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 64.129999999999995 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.39 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 53.130000000000003 110.43 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -87.69 -63.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 61.229999999999997 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.494 ' N ' HD23 ' A' ' 133' ' ' LEU . 10.0 t -38.16 -48.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 72.319999999999993 110.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -53.23 -58.75 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 64.140000000000001 110.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.496 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -79.76 4.87 15.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 75.239999999999995 110.264 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.6 m-20 42.36 36.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 71.420000000000002 109.241 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.496 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.4 t0 -41.79 154.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -74.32 -4.39 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.592 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.91 -0.07 18.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.450000000000003 110.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -51.6 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.200000000000003 109.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.758 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.93 -31.49 24.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 64.519999999999996 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.61 -31.97 73.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 72.310000000000002 110.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.035 HD12 ' CD2' ' A' ' 94' ' ' TRP . 7.4 tt -74.72 -47.27 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 62.340000000000003 109.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.662 ' OE1' HG13 ' A' ' 122' ' ' VAL . 33.8 mm-40 -52.01 -23.98 5.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 73.540000000000006 110.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -99.36 -22.65 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 75.329999999999998 109.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 1.5 tt0 -75.27 -61.64 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 75.439999999999998 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -52.21 -20.25 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.200000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 145' ' ' GLY . 7.8 mtm105 -86.97 -64.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 72.109999999999999 110.273 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -46.26 -26.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.6 mmp_? -81.22 -78.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 61.310000000000002 110.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -64.86 -56.72 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 64.510000000000005 108.34 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.52 63.68 0.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 61.240000000000002 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.33 -167.39 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 72.140000000000001 107.972 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -115.47 60.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.6 tt -69.11 -35.46 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.01 -20.29 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 52.140000000000001 109.294 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 110.98 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.041 -0.824 . . . . 61.310000000000002 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.04 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 63.229999999999997 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.79 167.97 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 63.509999999999998 109.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.962 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -62.36 -51.67 71.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.96 -25.26 12.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 55.229999999999997 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.0 t -51.55 -45.74 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.219999999999999 110.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.55 -26.97 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 55.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -73.68 -36.23 65.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.040000000000006 111.028 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.64 -37.45 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 74.230000000000004 109.246 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.884 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.7 mt -70.41 -19.52 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 64.209999999999994 109.303 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.986 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -69.24 -54.37 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 61.340000000000003 109.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.44 -7.32 60.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 64.310000000000002 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 13.54 34.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 63.009999999999998 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.93 -65.04 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.329999999999998 109.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 161.78 134.1 1.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 60.219999999999999 110.965 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 27.2 tp60 -37.55 -56.07 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 74.040000000000006 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -63.34 -40.7 98.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 72.049999999999997 109.315 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.9 tptt -46.99 -31.95 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -73.47 -59.98 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 109.306 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.8 mt -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 34.399999999999999 109.331 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.6 t80 -54.65 -72.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 55.229999999999997 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 ' OE2' ' A' ' 106' ' ' GLU . 81.0 mt -39.12 -60.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 71.420000000000002 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -43.05 -61.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 37.1 m80 -52.19 -30.43 27.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.654 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LEU . 8.8 tttt -79.3 -26.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 53.140000000000001 109.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -81.71 -24.32 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 65.329999999999998 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 19.5 mmtt -39.35 -31.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 51.039999999999999 109.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -117.25 98.95 52.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 71.209999999999994 110.386 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 150.95 39.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 72.420000000000002 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -91.75 159.12 39.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 110.292 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.31 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.484 1.781 . . . . 73.5 111.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.05 5.04 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 61.140000000000001 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.38 123.27 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.356 -0.979 . . . . 64.329999999999998 108.356 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . 1.5 mp0 -123.93 -2.92 8.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 110.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.17 -32.63 4.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.666 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.53 -67.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.753 . . . . 71.140000000000001 110.33 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.873 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.1 t0 -40.22 -41.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.439999999999998 109.294 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.08 -49.94 70.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 65.530000000000001 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.986 ' CD1' HD11 ' A' ' 15' ' ' LEU . 5.3 tp -58.89 -29.35 66.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 73.239999999999995 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.3 t-160 -58.62 -41.62 86.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.109999999999999 109.586 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -76.85 -21.61 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.25 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.439 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 44.5 mtp -90.71 -8.17 50.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 71.310000000000002 110.962 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 43' ' ' LEU . 51.1 t -94.91 -51.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 61.530000000000001 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.4 mm? -41.93 -50.12 4.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.400000000000006 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 77' ' ' TRP . 5.2 mp -50.28 -52.61 34.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 64.400000000000006 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD3' ' CE1' ' A' ' 12' ' ' PHE . 3.4 mmmt -40.51 -30.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 72.340000000000003 109.305 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.08 -43.31 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.03 14.73 7.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 72.540000000000006 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.41 ' OE1' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -120.39 72.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 61.43 110.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.61 -17.97 63.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' HD13 ' A' ' 59' ' ' ILE . 1.1 m -39.0 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.329999999999998 110.378 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.76 -44.13 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 60.229999999999997 110.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.6 -37.84 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 63.240000000000002 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -61.99 -38.94 90.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.120000000000005 110.35 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -67.63 -62.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 64.230000000000004 109.259 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 t -43.61 -45.6 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 70.230000000000004 110.0 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.849 HD22 ' O ' ' A' ' 70' ' ' ALA . 12.3 mt -56.08 -47.53 77.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.049999999999997 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -66.62 -13.68 61.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.1 12.95 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.019999999999996 109.338 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 41' ' ' ASP . 20.2 mt -124.45 54.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.209999999999994 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' C ' ' NH2' ' A' ' 71' ' ' ARG . 9.4 mmmm -59.64 -15.87 22.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 64.439999999999998 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.97 -44.02 11.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 63.450000000000003 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.618 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.02 130.17 36.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.318 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.35 -17.23 26.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 109.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 95' ' ' ALA . 3.2 t -77.75 -19.53 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 71.519999999999996 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.849 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.98 -7.91 44.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 64.239999999999995 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' NH2' ' C ' ' A' ' 65' ' ' LYS . 5.3 mmt85 -101.24 -37.19 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -80.58 -11.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 24.6 t -96.64 -6.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 62.549999999999997 109.275 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.993 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.94 -35.64 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 55.310000000000002 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.778 HH21 HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -98.28 -5.99 31.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 74.109999999999999 110.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -91.67 -44.74 8.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 54.520000000000003 110.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.962 ' CH2' HD22 ' A' ' 8' ' ' LEU . 22.0 m-90 -106.73 -58.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.97 -1.122 . . . . 53.549999999999997 107.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.993 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -57.45 -24.88 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 51.229999999999997 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 55.23 41.36 78.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 53.130000000000003 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 74' ' ' ALA . 20.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 63.130000000000003 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.592 ' HB3' HG11 ' A' ' 92' ' ' VAL . 10.1 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.338 -0.245 . . . . 73.409999999999997 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.682 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 74.409999999999997 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 75.219999999999999 110.999 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 67.1 m-20 -119.24 26.55 9.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -46.87 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 64.25 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.469 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.1 m -66.13 -50.28 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.031 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.079 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.4 t90 -39.89 -67.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.239999999999995 108.038 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.21 -53.67 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 109.297 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.814 HG22 ' HG ' ' A' ' 8' ' ' LEU . 20.1 t -51.67 -46.54 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -60.53 -62.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 53.130000000000003 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 27.1 mtt180 -48.46 -25.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 71.219999999999999 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 43' ' ' LEU . 2.3 tp -81.13 -40.71 23.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.981 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 3.7 m-85 -76.53 -10.63 59.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 64.310000000000002 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.0 t60 -77.82 -18.93 55.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 65.310000000000002 109.625 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -97.26 -28.43 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.996 HD23 ' OE1' ' A' ' 106' ' ' GLU . 43.2 mt -65.87 -29.04 69.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.099999999999994 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.71 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.95 -3.27 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -99.74 -20.24 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.530000000000001 110.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.996 ' OE1' HD23 ' A' ' 103' ' ' LEU . 3.0 pt-20 -105.38 -9.47 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.120000000000005 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 77.44 38.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 26' ' ' LEU . 10.2 mt -95.64 -39.58 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 62.420000000000002 109.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.884 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -140.14 148.67 55.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 74.019999999999996 108.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.45 ' HG2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.97 155.52 43.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 64.540000000000006 110.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.03 -12.94 43.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 109.321 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -16.4 61.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 63.219999999999999 109.967 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 6' ' ' PRO . 3.7 mm? -96.47 -40.35 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 71.420000000000002 109.349 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.71 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.4 ttm180 -57.54 -25.77 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.503 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -81.68 -66.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 60.119999999999997 109.293 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -45.59 -35.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 55.25 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -65.01 -53.28 48.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 72.120000000000005 109.315 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.841 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -53.27 -43.64 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 64.329999999999998 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.535 ' O ' HG22 ' A' ' 122' ' ' VAL . 75.0 mt-30 -53.57 -52.27 60.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 61.450000000000003 110.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.21 -13.93 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 71.040000000000006 110.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -91.7 -30.13 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 62.109999999999999 109.351 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -81.54 -27.18 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 62.299999999999997 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -76.12 -32.82 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -40.37 65.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.530000000000001 110.41 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 84.8 mt -76.79 -43.82 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.219999999999999 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.563 ' OG ' HD21 ' A' ' 133' ' ' LEU . 68.2 m -65.11 -35.79 82.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 43.310000000000002 109.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 10.6 t -66.71 -36.56 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.009 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -100.66 6.44 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 110.332 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.4 m-20 42.1 49.22 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 54.439999999999998 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.499 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 27.3 t0 -62.33 176.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -92.93 -15.34 26.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 51.5 109.596 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.1 OUTLIER -101.41 16.5 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 73.120000000000005 110.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -70.73 -63.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 73.019999999999996 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.9 -30.16 44.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 63.100000000000001 110.973 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.73 -29.57 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 73.219999999999999 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.079 HD13 ' CE2' ' A' ' 94' ' ' TRP . 40.8 tp -74.7 -42.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.802 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 39.0 mm-40 -62.74 -13.96 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 73.25 110.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -106.77 -4.97 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 75.25 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.36 -47.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 71.200000000000003 110.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -66.91 -16.43 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.200000000000003 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 36.7 mtm180 -91.63 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -51.4 -21.79 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 73.230000000000004 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.0 mmp_? -85.92 -77.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.42 -55.99 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 65.150000000000006 108.28 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.81 65.34 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 74.450000000000003 111.014 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.874 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.36 -170.77 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.98 -1.118 . . . . 73.409999999999997 107.98 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -114.7 62.69 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.874 HD12 ' CH2' ' A' ' 146' ' ' TRP . 9.9 tt -65.59 -37.06 79.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.802 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -46.59 -25.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 54.25 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 54.32 110.987 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.974 -0.851 . . . . 75.049999999999997 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.748 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 54.100000000000001 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.464 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.8 t 179.99 178.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 63.140000000000001 109.966 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.537 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.55 -52.01 20.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 63.109999999999999 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.05 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 71.030000000000001 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.455 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 58.3 m -44.62 -44.99 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.867 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.32 -37.66 86.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.299999999999997 109.287 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.24 -35.86 78.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 71.140000000000001 111.004 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.21 -53.29 46.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 72.129999999999995 109.314 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.63 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.9 mt -56.66 -24.32 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 72.450000000000003 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.41 -56.61 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 51.420000000000002 109.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.77 -6.73 52.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 74.540000000000006 110.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.54 -16.51 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.140000000000001 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.874 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -68.43 -65.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 159.19 139.06 2.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 62.109999999999999 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -42.18 -58.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 72.219999999999999 110.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -62.54 -25.31 67.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 64.340000000000003 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.874 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.13 -17.32 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 64.150000000000006 109.307 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -93.6 -44.38 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.239999999999995 109.273 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.53 -48.36 81.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.25 109.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.95 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 63.020000000000003 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' OE2' ' A' ' 106' ' ' GLU . 87.1 mt -49.05 -38.65 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.28 -52.15 62.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 75.120000000000005 109.266 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 43.0 m80 -65.08 -12.13 47.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 54.219999999999999 109.614 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -86.12 -49.82 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 73.400000000000006 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 44' ' ' HIS . 1.8 mt -59.97 -16.52 31.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 9.7 mmtt -39.49 -39.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' THR . 0.5 OUTLIER -110.93 119.14 46.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 110.375 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.06 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 53.210000000000001 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.05 164.79 37.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 111.029 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.63 22.57 13.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 22.109999999999999 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.25 116.01 22.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.316 -0.994 . . . . 73.540000000000006 108.316 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.85 -8.78 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.349999999999994 110.263 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.64 -38.0 2.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 51.32 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.673 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -63.22 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.420000000000002 110.279 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.747 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.3 t0 -45.87 -41.21 10.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 73' ' ' VAL . 19.1 tp -60.99 -54.35 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 74.340000000000003 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.6 tp -56.26 -32.29 64.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.25 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.711 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.8 t-160 -56.38 -27.85 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.150000000000006 109.587 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -86.76 -20.92 26.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 60.439999999999998 109.374 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.61 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 42.4 mtp -93.37 -7.3 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 43' ' ' LEU . 60.2 t -94.71 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 61.310000000000002 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.38 -40.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 72.340000000000003 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.532 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.2 mt -55.15 -58.64 6.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.751 ' HB3' HD13 ' A' ' 23' ' ' LEU . 21.6 mmtt -42.99 -28.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD12 HD13 ' A' ' 48' ' ' LEU . 4.7 mt -83.68 -45.63 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 71.019999999999996 109.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.52 18.8 6.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 34.229999999999997 111.019 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.25 81.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 71.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -71.64 -20.04 62.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.84 -35.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 71.099999999999994 110.361 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -86.67 -48.36 8.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 73.030000000000001 110.273 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.48 -39.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 53.340000000000003 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -62.7 -49.92 73.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 75.239999999999995 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.73 -48.03 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 64.420000000000002 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -44.67 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 71.340000000000003 110.017 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.973 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.5 mt -62.7 -35.82 80.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 63.240000000000002 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.47 -14.61 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 61.200000000000003 110.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.04 7.72 20.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.248 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.747 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -134.31 54.56 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 61.340000000000003 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.2 mmpt? -59.65 -20.26 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.319999999999993 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.4 -52.11 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 51.310000000000002 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -66.11 111.45 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 64.049999999999997 109.308 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -74.98 -2.05 25.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.764 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 t -88.52 -23.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.119999999999997 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.973 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.23 -46.87 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 54.149999999999999 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -62.25 -31.63 72.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 110.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.988 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -83.75 -39.08 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.708 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -65.34 -11.42 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 70.409999999999997 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.69 -68.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.988 HH21 HD23 ' A' ' 72' ' ' LEU . 3.7 ptt-85 -67.27 -7.11 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 110.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -89.6 -45.07 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.049999999999997 110.326 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.799 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.9 m-90 -113.39 -59.63 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 108.042 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -46.1 -26.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 40.450000000000003 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 78.33 16.61 79.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 73.409999999999997 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 109.296 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.325 -0.25 . . . . 74.099999999999994 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 71.040000000000006 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 45.340000000000003 111.017 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 1.2 m-20 -99.19 24.55 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.309 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -41.49 -45.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 55.299999999999997 109.264 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -106.3 -41.39 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 54.350000000000001 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 136' ' ' LEU . 4.8 t90 -42.88 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 75.129999999999995 108.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.75 -50.67 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 55.299999999999997 109.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.9 t -51.86 -32.69 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.439999999999998 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.698 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -74.06 -37.41 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 61.200000000000003 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -77.78 -16.75 58.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 73.349999999999994 110.335 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -86.09 -52.74 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 109.32 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.867 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.2 m-85 -61.16 -21.09 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 55.310000000000002 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -17.6 64.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 109.59 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -97.21 -31.18 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.040000000000006 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.699 HD23 ' OE1' ' A' ' 106' ' ' GLU . 76.9 mt -65.54 -30.74 71.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 61.109999999999999 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.18 -3.41 29.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.31 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 1.8 mm-40 -99.45 -19.34 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 74.129999999999995 110.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.868 ' OE1' HD12 ' A' ' 108' ' ' LEU . 1.2 pt-20 -109.54 12.59 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp 54.89 49.27 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 109.348 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.868 HD12 ' OE1' ' A' ' 106' ' ' GLU . 20.3 mt -112.04 -32.75 6.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.430000000000007 109.339 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.669 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.6 m -144.56 140.13 16.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 64.230000000000004 108.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.97 152.15 40.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 71.420000000000002 111.007 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.09 15.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.219999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 19.9 m -55.7 -20.42 14.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 44.420000000000002 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 6' ' ' PRO . 2.3 mm? -94.84 -30.36 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 64.219999999999999 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.1 ttp180 -70.01 -27.18 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.109999999999999 110.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.487 ' OD2' HG23 ' A' ' 116' ' ' VAL . 1.1 p30 -80.34 -50.85 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.569 HG12 ' HD2' ' A' ' 6' ' ' PRO . 51.9 t -66.37 -28.64 44.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 113' ' ' LEU . . . -71.29 -34.07 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 54.140000000000001 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 m-85 -74.14 -43.61 56.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 54.340000000000003 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.63 -49.19 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 33.109999999999999 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -58.93 -14.43 9.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -93.85 -50.28 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 73.239999999999995 109.337 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 1.057 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -61.42 -25.51 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 62.43 109.286 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -72.93 -32.71 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 110.312 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.6 HG22 HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -83.43 -40.42 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 63.119999999999997 110.365 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.6 HD23 HG22 ' A' ' 124' ' ' THR . 2.1 mm? -68.21 -42.67 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 65.219999999999999 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.1 t -73.5 -39.59 64.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.530000000000001 109.967 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 6.0 t -57.96 -32.93 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 71.109999999999999 109.968 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.2 OUTLIER -103.43 -8.29 20.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 72.420000000000002 110.345 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 53.34 51.17 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.409999999999997 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.48 ' CB ' HD13 ' A' ' 125' ' ' LEU . 25.7 t0 -63.42 -179.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.209999999999994 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -94.67 -4.89 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 71.200000000000003 109.637 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -111.31 2.94 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 55.119999999999997 110.347 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.1 tm? -57.12 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.735 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.51 -27.13 25.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 54.549999999999997 110.996 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.25 -31.95 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 65.439999999999998 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 HG12 ' A' ' 122' ' ' VAL . 5.8 tt -74.69 -42.74 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.019999999999996 109.286 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.807 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.2 mm-40 -61.49 -12.08 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 110.331 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.44 -8.97 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -94.94 -50.06 5.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -63.78 -15.31 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.040000000000006 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 145' ' ' GLY . 49.4 mtm180 -91.23 -62.01 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.53 -22.14 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 75.109999999999999 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 12.3 mmp_? -85.36 -78.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.540000000000006 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.91 -55.57 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 61.329999999999998 108.255 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.46 70.17 0.88 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 44.310000000000002 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.969 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.95 -170.38 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.989 -1.115 . . . . 52.43 107.989 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -114.16 59.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.969 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -68.44 -14.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.040000000000006 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.807 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -78.88 0.22 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 62.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 54.240000000000002 110.994 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.023 -0.831 . . . . 70.420000000000002 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 74.530000000000001 110.967 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.38 172.77 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.240000000000002 110.012 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -66.26 -55.52 20.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.129999999999995 109.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.53 15.77 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.478 1.778 . . . . 64.209999999999994 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -54.66 -43.77 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.340000000000003 109.983 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.19 -26.79 68.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 65.109999999999999 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -69.86 -36.67 75.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.540000000000006 110.996 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -42.44 79.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 11' ' ' ALA . 5.2 mt -65.13 -22.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.7 mt -70.93 -60.57 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 71.510000000000005 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.49 -12.74 53.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 35.409999999999997 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.75 19.72 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 74.109999999999999 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.12 -72.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 52.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.555 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 173.92 136.52 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 22.440000000000001 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -40.73 -52.08 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 71.109999999999999 110.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.07 -31.78 66.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.530000000000001 109.324 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.4 tptt -53.36 -25.97 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 74.549999999999997 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.702 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -83.84 -59.0 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.25 109.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 51' ' ' LEU . 66.6 mt -47.16 -57.87 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 62.43 109.274 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.96 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.230000000000004 110.977 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.9 mt -39.8 -58.9 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 53.149999999999999 109.344 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE2' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 75.120000000000005 109.309 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 42.9 m80 -52.55 -22.17 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 75.549999999999997 109.626 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -81.0 -30.79 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 70.450000000000003 109.343 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.661 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.4 mt -76.29 -21.5 56.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.450000000000003 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 28.6 mmtt -38.59 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.400000000000006 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -105.01 104.95 49.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 64.219999999999999 110.36 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 140.04 25.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 64.340000000000003 110.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.46 168.1 13.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.120000000000005 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 72.209999999999994 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 27.97 36.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.152 . . . . 74.420000000000002 111.031 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.11 118.22 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.265 -1.013 . . . . 73.030000000000001 108.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.68 -4.5 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.311 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -108.5 -32.98 3.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 31.309999999999999 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.661 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.21 -64.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 74.340000000000003 110.284 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.869 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.1 t0 -48.2 -41.88 28.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.409999999999997 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 HG21 ' A' ' 73' ' ' VAL . 31.7 tp -60.75 -52.16 66.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 64.420000000000002 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.049 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.0 tp -58.25 -31.4 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 62.420000000000002 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.633 ' HA ' HD12 ' A' ' 30' ' ' LEU . 5.9 t-160 -59.69 -22.41 61.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.040000000000006 109.62 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.26 -20.55 21.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.3 mtp -93.92 -14.21 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 43' ' ' LEU . 38.7 t -86.51 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -40.27 -29.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 61.43 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.27 -58.54 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 73.450000000000003 109.289 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -37.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 70.439999999999998 109.282 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 24' ' ' LEU . 4.0 mp -75.55 -50.66 14.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 62.43 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.69 10.03 8.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 62.119999999999997 110.956 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -117.7 77.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 74.530000000000001 110.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.2 pt-20 -69.94 -18.54 63.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -39.12 -29.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 64.030000000000001 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -93.11 -45.02 8.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 110.293 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.7 -41.44 6.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 55.130000000000003 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' A' ' 61' ' ' LEU . 75.6 mtp180 -60.5 -48.57 81.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 62.420000000000002 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.83 -48.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.329999999999998 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -48.82 79.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.913 HD22 ' O ' ' A' ' 70' ' ' ALA . 5.9 mt -57.73 -39.16 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 109.301 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.71 -14.01 61.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.020000000000003 110.298 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.99 14.66 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 62.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.869 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.3 mt -132.34 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 72.450000000000003 109.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -54.34 -24.21 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 61.409999999999997 109.28 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.29 -48.15 12.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 52.340000000000003 109.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.39 119.84 14.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 109.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 89' ' ' PRO . . . -87.53 -15.1 38.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.539999999999999 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 96.1 t -80.31 -20.49 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.913 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -74.82 -66.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 73.400000000000006 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -48.93 -23.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 71.209999999999994 110.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.97 HD23 HH21 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -87.43 -37.04 17.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 63.530000000000001 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 HD11 ' A' ' 42' ' ' LEU . 4.1 t -65.35 -11.3 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 64.129999999999995 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.803 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.52 -68.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 60.299999999999997 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.97 HH21 HD23 ' A' ' 72' ' ' LEU . 5.3 ptt-85 -66.81 -7.81 24.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 71.230000000000004 110.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.1 tp-100 -87.98 -47.39 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.530000000000001 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 18.8 m-90 -107.74 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.97 -1.122 . . . . 74.420000000000002 107.97 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -43.62 -36.72 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 89.61 15.04 58.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 72.519999999999996 110.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 78' ' ' ALA . 44.8 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 74.219999999999999 109.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.278 -0.267 . . . . 73.219999999999999 110.278 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.754 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.03 173.65 14.15 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 61.039999999999999 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 53.399999999999999 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' HG23 ' A' ' 69' ' ' VAL . 35.9 m-20 -116.8 22.72 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 75.530000000000001 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -37.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 31.43 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -105.96 -41.25 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 110.028 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.029 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.5 t90 -44.82 -55.92 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 62.210000000000001 108.026 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -50.03 -36.51 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 63.119999999999997 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 7.5 t -71.8 -29.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 65.310000000000002 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.715 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -72.64 -41.78 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 72.239999999999995 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 1.3 mtt180 -78.15 -30.1 49.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.400000000000006 110.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 43' ' ' LEU . 4.2 tp -69.77 -39.73 76.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.97 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 6.2 m-85 -77.92 -22.57 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.120000000000005 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -60.82 -25.22 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.6 mt -92.7 -43.12 9.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 71.209999999999994 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 108' ' ' LEU . 95.1 mt -62.45 -17.57 59.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 50.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.26 -18.04 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 64.049999999999997 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -99.9 -30.05 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -67.4 -17.43 64.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 52.200000000000003 110.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt 79.2 41.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 54.200000000000003 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 103' ' ' LEU . 43.6 mt -111.59 -36.94 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 75.439999999999998 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.434 ' HB2' HD12 ' A' ' 113' ' ' LEU . 2.1 p -138.12 151.3 69.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 41.450000000000003 108.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.03 42.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 70.219999999999999 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.54 -12.23 42.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 52.240000000000002 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.2 m -63.57 -45.21 91.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 70.549999999999997 109.962 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 109' ' ' CYS . 24.7 mt -60.63 -38.11 83.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 72.430000000000007 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -57.2 -28.41 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.310000000000002 110.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.597 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -81.96 -64.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 109.307 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.461 HG12 ' OE2' ' A' ' 120' ' ' GLU . 21.2 t -40.23 -40.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.209999999999994 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.88 -58.82 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.209999999999994 109.325 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.724 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.6 m-85 -47.93 -40.82 23.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.56 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 83.6 mt-30 -57.17 -37.93 72.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 55.329999999999998 110.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE2' HG12 ' A' ' 116' ' ' VAL . 5.7 mt-10 -75.82 -8.31 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 64.340000000000003 110.354 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -99.4 -36.67 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 73.219999999999999 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 118' ' ' TYR . 1.8 p -80.85 -35.63 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 74.200000000000003 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -68.95 -28.6 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 110.331 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.51 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.2 t -85.39 -37.52 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 71.549999999999997 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.562 HD22 HD22 ' A' ' 136' ' ' LEU . 4.9 mp -79.03 -25.01 43.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.6 m -74.38 -44.28 52.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.119999999999997 109.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 110.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 130' ' ' ASP . 0.9 OUTLIER -94.93 2.15 55.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.030000000000001 110.327 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 41.28 52.94 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 109.328 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 20.2 t0 -56.28 157.14 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.349999999999994 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -71.44 -9.05 57.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.568 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.51 11.06 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.8 OUTLIER -61.85 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 71.319999999999993 109.322 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.835 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.15 -29.89 37.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.118 . . . . 71.209999999999994 110.976 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.35 -33.24 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 71.230000000000004 110.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.4 tp -75.36 -39.62 59.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 75.200000000000003 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.834 HE21 HD22 ' A' ' 133' ' ' LEU . 13.1 mm-40 -63.97 -18.41 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 70.209999999999994 110.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -102.65 -4.69 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 109.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.7 tt0 -98.88 -47.09 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 73.299999999999997 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.08 -18.06 65.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 70.299999999999997 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 22.4 mtm180 -92.45 -60.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 110.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -50.67 -22.49 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 72.150000000000006 109.337 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.4 mmp_? -86.93 -78.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 110.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -61.5 -55.98 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 65.549999999999997 108.342 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.26 68.8 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 61.439999999999998 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.868 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.37 -171.17 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 65.439999999999998 108.0 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.14 61.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 52.200000000000003 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.868 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 2.8 tt -70.37 -35.03 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.59 -21.93 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 52.520000000000003 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 44.520000000000003 111.002 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 63.520000000000003 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.523 ' CD ' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.95 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 73.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -173.63 171.22 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 109.998 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -73.39 -49.84 6.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 63.119999999999997 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 75.299999999999997 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -59.46 -40.92 88.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' HB1' HD11 ' A' ' 103' ' ' LEU . . . -66.98 -35.67 80.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 62.420000000000002 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.798 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -65.08 -35.85 82.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.995 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.51 -28.19 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 109.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 11' ' ' ALA . 32.5 mt -78.04 -17.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 ' CD2' ' A' ' 43' ' ' LEU . 2.8 mt -73.37 -55.03 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 65.219999999999999 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.69 -6.26 49.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 54.020000000000003 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.91 12.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 52.32 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.885 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -57.92 -71.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 42.219999999999999 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.53 139.26 2.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 74.049999999999997 110.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -39.78 -61.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 64.400000000000006 110.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.74 -24.05 66.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 72.310000000000002 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.885 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.9 tptm -61.54 -16.19 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 61.200000000000003 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mt -92.4 -52.37 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 74.030000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' HD13 ' A' ' 51' ' ' LEU . 2.7 mm? -55.48 -51.89 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.305 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 26' ' ' LEU . 1.4 t80 -53.47 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.150000000000006 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 ' CE2' ' A' ' 25' ' ' TYR . 62.1 mt -43.11 -45.22 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 71.349999999999994 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.15 -54.96 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.230000000000004 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.408 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 43.6 m80 -64.39 -11.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.119999999999997 109.622 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -88.47 -38.26 15.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 75.5 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.642 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.7 mt -71.89 -20.52 61.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 39.7 mmtt -38.3 -42.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -99.32 109.27 54.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 72.219999999999999 110.396 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.56 25.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 74.430000000000007 110.992 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -90.48 168.89 13.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 70.140000000000001 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 71.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.66 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.7 116.57 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.268 -1.012 . . . . 71.150000000000006 108.268 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -120.85 -6.64 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.519999999999996 110.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.7 -35.28 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 72.400000000000006 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.592 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.8 tt0 -66.08 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 61.009999999999998 110.334 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.82 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.2 t70 -48.95 -40.24 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.200000000000003 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.83 -55.19 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 64.349999999999994 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.054 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.3 mt -58.13 -34.21 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.109999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.549 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.2 t60 -57.32 -20.88 31.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 72.030000000000001 109.556 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.24 -20.17 22.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 64.230000000000004 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.6 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 38.7 mtp -98.6 -14.04 20.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.439999999999998 110.975 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 43' ' ' LEU . 41.3 t -85.44 -50.69 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.7 OUTLIER -43.85 -48.5 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.409999999999997 109.255 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.584 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.3 mt -50.94 -51.48 51.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 63.109999999999999 109.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.957 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.1 mmmt -41.23 -29.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 71.299999999999997 109.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.55 -43.21 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 62.020000000000003 109.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.04 16.25 6.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 60.020000000000003 111.001 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.579 ' NE2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -125.3 82.81 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 75.140000000000001 110.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -76.95 -18.63 58.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 71.109999999999999 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -37.99 -34.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 60.119999999999997 110.378 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ILE . 20.1 mp0 -88.73 -46.77 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 110.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -41.49 -35.77 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.4 mtp180 -69.07 -50.07 51.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 110.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -55.55 -39.67 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 72.239999999999995 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.661 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 p -66.08 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.129999999999995 110.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.74 HD21 HG12 ' A' ' 73' ' ' VAL . 8.9 mt -53.03 -46.41 68.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 65.430000000000007 109.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' CD ' ' A' ' 65' ' ' LYS . 4.1 tp10 -64.29 -18.23 64.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 110.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -72.75 -5.37 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 52.219999999999999 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.6 mt -119.98 51.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.420000000000002 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 62' ' ' GLU . 5.9 mmmt -50.11 -24.64 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.269 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.49 -44.15 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 72.310000000000002 109.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 64' ' ' LEU . 11.1 m-20 -72.26 107.4 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.019999999999996 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -72.72 -5.25 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.450000000000003 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.6 t -78.37 -40.22 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 73.439999999999998 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -61.53 -57.98 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -50.21 -28.09 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 73.420000000000002 110.331 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.785 HD22 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.15 -29.65 20.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.450000000000003 109.325 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 42' ' ' LEU . 3.4 t -79.69 -6.71 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.076 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -82.05 -36.65 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 70.140000000000001 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.501 HH21 HD23 ' A' ' 72' ' ' LEU . 5.8 ptt-85 -99.03 -5.37 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.5 tp-100 -86.82 -48.46 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 54.439999999999998 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 8' ' ' LEU . 26.5 m-90 -109.47 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 74.129999999999995 108.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.076 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.89 -28.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 61.32 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.06 18.47 74.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 40.5 110.963 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 74' ' ' ALA . 50.1 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 73.120000000000005 109.27 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 10.5 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 52.229999999999997 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 171.89 17.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 74.040000000000006 111.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.09 15.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 74.409999999999997 111.009 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD2' ' NH1' ' A' ' 98' ' ' ARG . 94.3 m-20 -104.5 26.76 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.430000000000007 109.24 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -42.35 -41.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 65.25 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.9 m -104.55 -40.84 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 62.119999999999997 109.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -43.16 -54.6 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 74.439999999999998 108.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -56.3 -39.99 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 63.210000000000001 109.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG22 ' HG ' ' A' ' 8' ' ' LEU . 40.8 t -64.01 -23.26 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 75.439999999999998 109.294 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.5 -40.63 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.420000000000002 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.446 ' NH1' ' OD2' ' A' ' 91' ' ' ASP . 13.5 mtt180 -71.18 -23.12 61.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 65.430000000000007 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.689 ' CD2' HD11 ' A' ' 43' ' ' LEU . 6.8 tt -74.4 -52.56 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.284 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m-85 -62.49 -28.11 69.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 63.439999999999998 111.026 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -53.67 -20.98 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 71.549999999999997 109.579 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.1 mt -97.13 -25.86 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.09 . . . . 75.109999999999999 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 106' ' ' GLU . 85.0 mt -70.52 -16.17 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 71.450000000000003 109.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.31 -1.81 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 74.099999999999994 109.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.54 -18.49 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 61.140000000000001 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.1 pt-20 -107.21 -6.04 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.030000000000001 110.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 74.45 24.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 109.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.651 HD21 ' NZ ' ' A' ' 22' ' ' LYS . 19.0 mt -80.56 -27.21 37.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 74.510000000000005 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.67 ' SG ' HD23 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -157.76 143.17 12.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 108.313 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.03 148.18 34.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 63.100000000000001 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.57 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -50.35 -22.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 63.130000000000003 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' ALA . 3.5 m -38.76 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 43.100000000000001 110.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.67 HD23 ' SG ' ' A' ' 109' ' ' CYS . 2.0 mm? -70.13 -54.48 12.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 ttp180 -38.52 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 65.450000000000003 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.4 OUTLIER -78.81 -69.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.25 109.31 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.2 t -39.41 -47.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.010000000000005 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -55.75 -63.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 74.310000000000002 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.8 m-85 -43.26 -43.85 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 61.32 110.962 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -53.06 -49.84 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 54.140000000000001 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.7 -16.94 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.120000000000005 110.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.492 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.92 -17.93 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 75.439999999999998 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.693 HG13 ' OE1' ' A' ' 137' ' ' GLN . 13.5 t -85.04 -31.24 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.3 OUTLIER -83.54 -29.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 110.311 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.548 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.8 t -68.61 -38.33 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.423 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.824 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -78.28 -32.91 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.510000000000005 109.366 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.6 t -68.4 -48.21 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 72.109999999999999 110.001 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -55.56 -52.89 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 61.200000000000003 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.433 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.0 OUTLIER -86.91 3.17 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 71.299999999999997 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.2 m-20 40.1 47.97 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 71.239999999999995 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 26.7 t0 -49.39 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.340000000000003 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.51 -2.57 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 109.624 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.436 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -114.36 5.83 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 63.420000000000002 110.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -53.2 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.209999999999994 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.803 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.9 -31.75 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 62.340000000000003 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.96 -35.89 80.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 65.230000000000004 110.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.4 tp -74.1 -39.05 63.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.549999999999997 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.693 ' OE1' HG13 ' A' ' 122' ' ' VAL . 47.1 mm-40 -62.68 -17.18 60.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 75.310000000000002 110.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -106.18 -18.02 14.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.200000000000003 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 0.3 OUTLIER -84.95 -59.81 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.5 110.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -51.77 -20.82 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.040000000000006 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 40.3 mtm180 -86.5 -58.72 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 65.319999999999993 110.36 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -50.68 -22.58 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 64.310000000000002 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.7 mmp_? -83.6 -78.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 110.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.52 -55.57 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 108.34 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.28 65.28 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 61.520000000000003 111.011 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.33 -169.21 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.109 . . . . 72.329999999999998 108.004 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.88 61.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.349999999999994 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.2 tt -70.4 -22.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.32 -24.74 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 33.210000000000001 109.309 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 51.119999999999997 111.035 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.95 -0.86 . . . . 45.140000000000001 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.559 1.82 . . . . 75.030000000000001 110.993 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t -179.77 170.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.047 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 1.021 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -61.01 -50.6 84.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.519999999999996 109.348 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.96 -34.87 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 71.049999999999997 111.057 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -43.92 -47.2 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.329999999999998 109.993 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.917 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.49 -38.13 83.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 75.310000000000002 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -66.02 -35.94 81.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.150000000000006 111.005 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.06 -30.47 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.409999999999997 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 11' ' ' ALA . 10.6 mt -75.16 -19.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.109999999999999 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -71.22 -57.18 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.25 109.328 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -65.06 -10.8 48.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 71.420000000000002 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.02 19.34 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 74.209999999999994 109.324 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.881 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.93 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.52 136.01 2.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 61.329999999999998 110.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 38.2 tp60 -37.76 -55.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 74.400000000000006 110.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -38.84 87.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 65.230000000000004 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.881 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 5.1 tptm -46.21 -31.47 2.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 54.399999999999999 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.96 -68.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 73.200000000000003 109.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' HD13 ' A' ' 51' ' ' LEU . 94.1 mt -39.91 -58.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.310000000000002 109.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.5 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 111.008 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 10.8 mt -39.15 -57.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 73.049999999999997 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -43.98 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.409999999999997 109.306 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 40.3 m80 -54.58 -20.02 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.576 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HG3' HD23 ' A' ' 30' ' ' LEU . 1.2 tptm -84.66 -27.53 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 71.140000000000001 109.291 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 40' ' ' GLN . 4.2 mt -81.34 -24.81 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 27.6 mmtt -38.34 -32.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 61.539999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -102.81 107.07 53.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 72.209999999999994 110.422 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.792 . . . . 72.530000000000001 111.055 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -83.39 167.78 26.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.229999999999997 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.65 2.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 71.329999999999998 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.02 36.67 51.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 72.400000000000006 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 126.19 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 73.120000000000005 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.84 -0.08 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.26 -27.38 7.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 111.025 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.599 ' CG ' HD22 ' A' ' 30' ' ' LEU . 4.6 tt0 -79.98 -54.89 5.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 71.430000000000007 110.275 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.867 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.8 t0 -55.07 -40.57 70.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.239999999999995 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.679 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -60.65 -52.88 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 72.140000000000001 109.311 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 15' ' ' LEU . 15.0 tp -57.53 -29.04 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.594 ' HA ' HD12 ' A' ' 30' ' ' LEU . 7.9 t-160 -57.65 -32.87 67.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.598 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -81.19 -27.88 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 71.549999999999997 109.234 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.616 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 57.8 mtp -85.57 -8.26 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 63.210000000000001 110.955 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 43' ' ' LEU . 89.8 t -94.37 -51.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.276 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -42.11 -45.81 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.606 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.3 mt -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 54.409999999999997 109.287 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -40.21 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 74.019999999999996 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.675 HD11 ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -95.18 -42.4 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.91 16.34 7.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 35.020000000000003 111.011 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.54 ' OE1' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -118.05 71.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 60.149999999999999 110.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.03 -17.64 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 74.239999999999995 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.0 -35.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.087 . . . . 75.519999999999996 110.438 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' ILE . 16.6 mp0 -87.48 -44.41 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 110.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -43.63 -35.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.150000000000006 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -69.05 -44.29 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 110.279 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.5 mp -61.38 -55.11 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.430000000000007 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -48.28 68.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 72.25 110.027 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.9 mt -54.71 -48.48 72.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 74.209999999999994 109.328 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -65.06 -15.76 62.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.019999999999996 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.19 7.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 63.530000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.867 HD21 ' CB ' ' A' ' 41' ' ' ASP . 28.3 mt -125.07 54.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 60.420000000000002 109.264 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.506 ' C ' HH21 ' A' ' 71' ' ' ARG . 17.0 mtpp -64.9 -12.4 48.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.18 17.21 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.25 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' NE ' ' A' ' 71' ' ' ARG . 3.5 t0 -148.19 136.16 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 60.340000000000003 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.57 -28.99 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 34.420000000000002 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 95' ' ' ALA . 4.4 m -62.41 -34.34 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 72.310000000000002 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -66.78 -7.9 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 64.420000000000002 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.506 HH21 ' C ' ' A' ' 65' ' ' LYS . 6.0 mmt85 -98.47 -32.74 11.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.782 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -84.08 -29.16 27.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.271 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.68 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 28.2 t -76.58 -6.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.019 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.22 -38.17 17.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.200000000000003 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.782 ' NH2' HD23 ' A' ' 72' ' ' LEU . 5.2 ptt-85 -97.93 -6.22 32.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.129999999999995 110.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.1 tp-100 -88.77 -45.02 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 65.150000000000006 110.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 1.021 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.8 m-90 -109.11 -59.65 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 73.25 108.03 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.46 -31.94 47.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 73.120000000000005 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 61.8 42.51 99.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 61.109999999999999 110.978 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 74' ' ' ALA . 19.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 74.120000000000005 109.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.29 -0.263 . . . . 71.319999999999993 110.29 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.575 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 173.75 13.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 55.399999999999999 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.11 18.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 62.020000000000003 111.007 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -120.16 27.31 8.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 109.301 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -49.33 -43.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -104.66 -33.1 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 110.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.023 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.0 t90 -55.58 -59.37 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 108.061 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.802 ' HB2' HG11 ' A' ' 69' ' ' VAL . . . -42.81 -48.93 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 96' ' ' VAL . 21.2 t -49.02 -41.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.120000000000005 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -71.83 -26.92 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 7.0 mmt180 -79.72 -26.68 40.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 110.293 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.716 HD23 ' C ' ' A' ' 99' ' ' LEU . 3.3 tt -83.65 -55.39 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.917 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.5 m-85 -58.3 -19.87 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.140000000000001 111.021 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -67.65 -24.53 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 62.43 109.583 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -93.81 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 108' ' ' LEU . 56.7 mt -62.87 -21.78 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 62.530000000000001 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.54 -13.02 61.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 70.099999999999994 109.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.67 -19.7 16.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.120000000000005 110.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -91.65 -5.69 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 54.009999999999998 110.317 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp 68.02 42.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 53.25 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 103' ' ' LEU . 55.2 mt -105.92 -30.01 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.1 p -149.01 148.95 28.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 44.439999999999998 108.271 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.41 38.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 44.219999999999999 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.9 -21.23 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 71.129999999999995 109.278 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.2 p -54.78 -44.21 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 63.520000000000003 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . 13.1 mt -66.69 -31.92 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 65.099999999999994 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 1.7 ttp180 -67.17 -30.45 70.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 63.340000000000003 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.11 -48.22 11.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 112' ' ' SER . 15.9 t -57.54 -36.79 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.510000000000005 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.21 79.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 73.530000000000001 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.877 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.3 m-85 -69.3 -41.37 76.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.519999999999996 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.9 mt-30 -56.09 -45.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 62.030000000000001 110.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.94 -12.8 57.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -93.74 -33.18 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 73.349999999999994 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -77.55 -29.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.129999999999995 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -32.89 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 64.340000000000003 110.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -76.26 -34.95 59.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 64.219999999999999 110.392 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.568 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -82.91 -37.89 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 109.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 46.3 t -70.42 -33.76 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.109999999999999 110.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.6 t -68.68 -40.47 80.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 60.240000000000002 110.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.444 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.7 ptt85 -97.89 2.89 49.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.0 m-20 45.74 50.66 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.45 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 19.1 t0 -54.98 174.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -93.76 -1.74 54.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 72.430000000000007 109.556 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -1.3 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.129999999999995 110.248 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 125' ' ' LEU . 3.0 tm? -47.23 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 43.450000000000003 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -46.39 -37.37 8.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 64.439999999999998 111.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.36 -34.89 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 65.5 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.8 tp -72.21 -37.55 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 74.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 44.9 mm-40 -64.87 -14.06 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.409999999999997 110.329 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -103.9 -23.91 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -76.19 -61.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.349999999999994 110.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -51.34 -21.41 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 55.549999999999997 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 145' ' ' GLY . 14.5 mtm180 -86.05 -62.78 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 62.520000000000003 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -49.15 -24.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 73.25 109.258 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.07 -79.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 74.219999999999999 110.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.98 -56.12 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.129999999999995 108.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.17 70.83 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 53.329999999999998 111.049 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.993 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.56 -169.58 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 73.450000000000003 108.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.03 61.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.266 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.993 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.7 tt -71.46 -34.79 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 50.420000000000002 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.39 -29.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 63.409999999999997 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 61.530000000000001 110.995 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.041 -0.824 . . . . 65.109999999999999 111.041 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.837 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.219999999999999 111.011 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 178.18 152.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 60.130000000000003 109.973 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.635 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -47.65 -50.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 75.200000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.91 -25.68 11.83 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 73.219999999999999 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -51.13 -45.26 61.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 71.409999999999997 110.031 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 62.409999999999997 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.72 -33.3 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 63.25 110.957 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.04 -48.83 61.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 73.230000000000004 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 109' ' ' CYS . 5.9 mt -62.64 -24.18 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 70.420000000000002 109.292 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.871 HD11 HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -61.18 -49.47 77.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.230000000000004 109.313 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 -3.22 56.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 71.129999999999995 110.975 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.69 15.99 21.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 64.420000000000002 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.794 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -93.41 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 62.210000000000001 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.9 134.65 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.1 tp60 -37.88 -55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 74.140000000000001 110.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -38.58 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 63.409999999999997 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.794 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -48.37 -30.43 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 63.240000000000002 109.271 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -75.7 -67.51 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 71.319999999999993 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 65.7 mt -39.4 -53.21 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 62.030000000000001 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -55.72 -73.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 65.120000000000005 110.978 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 mt -37.59 -61.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.307 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.876 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.03 -70.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 61.450000000000003 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.586 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 40.1 m80 -52.76 -20.26 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.310000000000002 109.617 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.906 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.77 -34.2 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 72.109999999999999 109.276 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.906 HD23 ' HG3' ' A' ' 29' ' ' LYS . 3.7 mt -71.07 -17.8 62.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mmtt -39.41 -30.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 71.019999999999996 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' NH1' ' A' ' 34' ' ' ARG . 3.1 m -112.46 95.45 31.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 22.100000000000001 110.407 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 164.01 34.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.513 1.796 . . . . 72.540000000000006 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.632 ' NH1' HG22 ' A' ' 32' ' ' THR . 4.5 mmm180 -102.08 161.31 23.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.439999999999998 110.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 75.010000000000005 111.015 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.29 12.57 35.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.089 . . . . 53.420000000000002 110.97 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -86.31 128.48 34.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 61.329999999999998 108.292 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -128.22 2.73 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.33 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -101.08 -27.0 7.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 61.310000000000002 111.023 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 8.0 tt0 -83.06 -60.17 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 55.200000000000003 110.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.754 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.5 t0 -50.24 -43.21 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG21 ' A' ' 73' ' ' VAL . 21.6 tp -59.72 -56.12 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 73.030000000000001 109.27 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 tp -54.46 -30.69 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.752 ' HA ' HD12 ' A' ' 30' ' ' LEU . 2.3 t60 -55.6 -32.69 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 109.617 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -82.33 -23.66 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 64.239999999999995 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.619 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 74.6 mtp -87.25 -17.96 31.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 64.299999999999997 111.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 43' ' ' LEU . 21.2 t -86.49 -49.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 61.200000000000003 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -42.79 -39.39 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.400000000000006 109.3 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.5 mt -61.25 -47.33 86.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.678 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 2.2 mmmp? -42.0 -28.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 64.450000000000003 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 27' ' ' LYS . 2.1 mt -93.13 -47.34 7.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 52.520000000000003 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.75 8.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 61.210000000000001 111.035 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.0 pt20 -111.17 85.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 75.310000000000002 110.256 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -80.68 -15.53 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -37.16 -35.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 54.229999999999997 110.442 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.4 mp0 -86.68 -43.83 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.239999999999995 110.337 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.83 -37.6 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 63.450000000000003 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -62.76 -42.83 99.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.299999999999997 110.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.1 mp -65.33 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.510000000000005 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -42.84 -51.68 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.993 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 70' ' ' ALA . 15.6 mt -54.19 -48.95 70.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 73.519999999999996 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -64.11 -12.25 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.140000000000001 110.27 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -87.22 11.34 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 74.040000000000006 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.754 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.4 mt -135.67 54.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -64.87 -13.37 56.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 71.239999999999995 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.68 52.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 53.420000000000002 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.37 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 61.439999999999998 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.05 -1.79 58.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 71.519999999999996 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.0 t -88.91 -38.52 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.258 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.848 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.18 -36.81 85.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 53.549999999999997 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -76.29 -23.91 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 110.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -91.78 -20.76 21.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 72.019999999999996 109.284 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.814 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 6.6 t -85.93 -6.89 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 73.200000000000003 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.015 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.95 -35.04 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 109.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.832 ' NH2' HD23 ' A' ' 72' ' ' LEU . 9.3 ptt-85 -98.55 -6.82 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp-100 -88.79 -44.79 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.356 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.814 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.5 m-90 -108.33 -59.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 107.987 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.015 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.79 -45.13 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 70.109999999999999 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 77.12 42.47 19.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 111.036 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.5 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 71.439999999999998 109.26 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.301 -0.259 . . . . 64.25 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 163.27 35.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 54.240000000000002 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 73.430000000000007 110.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -117.5 27.44 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.268 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.25 -38.32 76.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.7 t -101.32 -20.42 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.340000000000003 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.043 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.3 t90 -76.94 -63.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.010000000000005 108.011 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.75 -52.88 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 53.43 109.235 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 97' ' ' ALA . 9.0 p -61.37 -53.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.120000000000005 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.553 ' N ' HG13 ' A' ' 96' ' ' VAL . . . -50.87 -26.7 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 71.200000000000003 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.611 ' NE ' ' CD1' ' A' ' 94' ' ' TRP . 16.2 mtt180 -88.01 -31.77 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 64.230000000000004 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.886 HD21 HD13 ' A' ' 43' ' ' LEU . 3.8 tt -66.57 -44.4 82.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.17 -24.46 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.5 t60 -60.71 -26.75 67.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 72.239999999999995 109.621 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.3 mt -89.24 -35.91 15.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 62.109999999999999 109.251 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.2 -19.99 65.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.209999999999994 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.32 -13.41 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.38 -17.87 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.319999999999993 110.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.1 0.65 51.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 73.030000000000001 110.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 32.42 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.73 -32.53 11.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.319999999999993 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.3 m -140.87 145.07 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 108.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.72 42.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 52.149999999999999 110.989 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.17 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 62.119999999999997 109.347 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 116' ' ' VAL . 17.5 p -54.95 -34.31 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 73.209999999999994 110.014 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.837 HD12 ' HB3' ' A' ' 6' ' ' PRO . 3.1 mm? -76.24 -36.87 58.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 61.43 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.6 ttp180 -62.2 -24.91 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 110.268 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.613 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -83.58 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 70.219999999999999 109.315 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' SER . 40.2 t -50.03 -38.94 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.278 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -62.03 -61.93 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.020000000000003 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.815 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -46.2 -46.98 17.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 64.329999999999998 111.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' HG22 ' A' ' 122' ' ' VAL . 85.2 mt-30 -49.94 -56.68 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.9 -14.36 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 54.32 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -90.48 -34.63 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.372 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -75.59 -28.33 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.140000000000001 109.272 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -78.58 -29.0 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 110.278 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -73.72 -45.35 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.41 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.605 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -75.48 -30.84 60.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 62.310000000000002 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.573 ' OG ' HD21 ' A' ' 133' ' ' LEU . 28.8 m -73.33 -47.98 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 74.239999999999995 109.983 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.099999999999994 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.473 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -87.9 -7.36 57.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.230000000000004 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 53.23 41.12 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 44.149999999999999 109.252 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.495 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 24.6 t0 -54.61 179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 73.439999999999998 109.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -98.25 -4.41 35.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 63.219999999999999 109.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.4 OUTLIER -109.72 10.03 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.7 tm? -61.1 -68.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.049999999999997 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.19 -33.6 15.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 32.520000000000003 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.68 -35.01 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 63.119999999999997 110.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 94' ' ' TRP . 36.4 tp -70.75 -41.5 71.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 71.510000000000005 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.715 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 41.5 mm-40 -62.63 -13.77 35.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 70.519999999999996 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.48 -5.18 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.230000000000004 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.29 -46.4 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 110.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.67 -16.24 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 109.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 145' ' ' GLY . 45.6 mtm180 -91.67 -58.67 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 73.319999999999993 110.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.65 -22.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 63.299999999999997 109.311 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 14.0 mmp_? -85.52 -78.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 64.140000000000001 110.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.59 -55.48 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 63.119999999999997 108.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.78 67.82 0.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 62.5 110.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.03 -170.79 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 74.150000000000006 107.99 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.74 61.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 71.430000000000007 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.917 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.8 tt -68.14 -34.51 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 72.019999999999996 109.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.715 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -42.57 -30.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 71.049999999999997 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 44.420000000000002 111.003 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 74.150000000000006 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -74.99 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 62.130000000000003 111.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t 179.85 174.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 61.049999999999997 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.653 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -68.93 -50.84 20.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 63.439999999999998 109.318 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.93 -30.01 7.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 62.310000000000002 110.981 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.42 ' HG ' ' HH ' ' A' ' 100' ' ' TYR . 38.1 t -47.17 -48.79 23.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 70.310000000000002 110.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.909 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.03 -29.6 67.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -77.72 -35.07 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 73.340000000000003 111.013 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -70.36 -38.36 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.97 -20.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 64.219999999999999 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -69.35 -60.99 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 70.230000000000004 109.321 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.12 -12.2 36.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 111.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.91 17.44 20.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 62.43 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -102.93 -75.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 72.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.793 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.35 137.93 2.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 110.976 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -43.22 -48.09 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 73.329999999999998 110.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.15 -28.19 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 72.099999999999994 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.8 tptt -58.99 -25.96 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 73.219999999999999 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.76 -54.68 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 51' ' ' LEU . 75.7 mt -48.62 -41.38 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.439999999999998 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -60.79 -78.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 111.012 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 56.0 mt -39.84 -38.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.5 -57.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 74.109999999999999 109.267 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 40.8 m80 -62.44 -13.64 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.340000000000003 109.592 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -84.94 -40.42 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 62.130000000000003 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 HD23 ' A' ' 43' ' ' LEU . 3.3 mt -68.03 -22.0 64.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 70.239999999999995 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 34.5 mmtt -39.34 -31.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 62.420000000000002 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.2 m -115.45 92.07 31.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 73.319999999999993 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.86 42.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 75.019999999999996 111.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.19 158.01 36.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.200000000000003 110.258 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 75.450000000000003 111.035 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.3 22.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 71.549999999999997 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 129.52 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 73.019999999999996 108.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -127.64 1.57 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 65.409999999999997 110.301 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -102.78 -28.01 6.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 50.240000000000002 110.997 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.618 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 75.549999999999997 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.6 t0 -47.4 -40.24 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.25 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.06 -51.99 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 71.200000000000003 109.342 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 15' ' ' LEU . 7.0 tp -58.8 -32.83 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 72.519999999999996 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -59.41 -21.96 60.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.299999999999997 109.64 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.7 -19.96 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.614 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 30.9 mtp -98.74 -11.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 54.520000000000003 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.4 t -86.0 -53.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . 1.1 mm? -40.15 -49.17 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.565 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.9 mt -50.73 -53.44 31.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 72.319999999999993 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -41.07 -29.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.099999999999994 109.288 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.776 HD22 HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -88.02 -46.03 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.309 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 119.23 8.51 9.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.466 1.104 . . . . 42.539999999999999 111.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -121.36 83.02 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 73.120000000000005 110.264 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -73.34 -19.43 61.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.72 -37.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 51.100000000000001 110.385 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -82.82 -43.86 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 72.129999999999995 110.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . . . -47.54 -38.21 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 55.229999999999997 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -61.45 -44.62 96.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 64.349999999999994 110.33 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -60.14 -58.81 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.349999999999994 109.296 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -50.59 -45.2 57.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.993 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.6 mt -55.22 -43.87 74.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 73.329999999999998 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.05 -19.15 64.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 73.239999999999995 110.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.31 -5.26 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 63.049999999999997 109.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.0 mt -117.93 46.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 74.530000000000001 109.335 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.37 -23.12 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 72.129999999999995 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.76 -59.37 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.684 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.4 133.62 56.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.291 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.59 -12.39 37.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 95' ' ' ALA . 12.4 t -74.71 -23.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.871 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.97 -57.8 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 13.199999999999999 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.4 mpp_? -52.27 -52.61 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 63.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 72' ' ' LEU . 1.9 tm? -59.56 -40.57 87.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 62.350000000000001 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.997 HG21 HD11 ' A' ' 42' ' ' LEU . 24.1 t -71.9 -4.59 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 70.25 109.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HB1' HG21 ' A' ' 80' ' ' VAL . . . -83.92 -52.45 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 74.340000000000003 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.43 -6.8 57.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 110.262 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -86.91 -42.2 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 74.140000000000001 110.348 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.792 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.3 m-90 -116.97 -59.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 72.329999999999998 107.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -20.37 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 62.3 26.11 67.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 111.035 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.853 HG21 ' HB1' ' A' ' 74' ' ' ALA . 77.1 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.310000000000002 109.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.334 -0.247 . . . . 71.129999999999995 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.5 Cg_endo -74.97 173.11 15.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 73.150000000000006 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 75.019999999999996 111.02 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 37.4 m-20 -119.86 23.21 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 72.209999999999994 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.424 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -45.98 -37.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 74.329999999999998 109.338 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -105.51 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.934 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.2 t90 -44.8 -55.46 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 108.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.916 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -49.12 -45.41 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.230000000000004 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.653 HG22 ' HG ' ' A' ' 8' ' ' LEU . 30.9 t -58.86 -39.65 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.129999999999995 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.42 -63.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 52.25 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -50.28 -31.62 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.32 110.316 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.714 HD11 HD13 ' A' ' 43' ' ' LEU . 3.0 tp -67.23 -51.89 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.420000000000002 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.909 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-85 -70.09 -19.01 63.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.414 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 2.0 t60 -59.95 -24.24 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 55.420000000000002 109.585 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -97.33 -30.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 63.43 109.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 ' HB1' ' A' ' 11' ' ' ALA . 82.4 mt -64.26 -17.65 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.668 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -79.28 -11.61 59.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 70.209999999999994 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.67 -20.14 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 64.299999999999997 110.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.476 ' OE2' HD21 ' A' ' 26' ' ' LEU . 13.3 mm-40 -85.0 -19.23 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.120000000000005 110.284 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp 77.52 26.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 51.43 109.321 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.1 mt -90.63 -34.96 15.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 64.230000000000004 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 149.27 48.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.530000000000001 108.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.75 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 154.61 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 73.120000000000005 110.961 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.39 44.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.109999999999999 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.7 m -58.07 -26.46 62.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 42.210000000000001 109.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.75 HD23 ' HD2' ' A' ' 110' ' ' PRO . 3.5 mm? -80.71 -61.57 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.229999999999997 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.668 HH21 ' CB ' ' A' ' 104' ' ' ALA . 4.9 ttm180 -42.07 -34.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 71.299999999999997 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -68.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 t -46.47 -30.6 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 65.510000000000005 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -67.05 -49.46 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.119999999999997 109.28 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.547 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.6 m-85 -58.22 -48.97 78.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.977 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' VAL . 69.4 mt-30 -47.93 -60.63 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 72.219999999999999 110.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.41 -23.93 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 110.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -82.08 -30.77 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 42.520000000000003 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.669 HG22 HE22 ' A' ' 137' ' ' GLN . 36.1 t -64.2 -31.28 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 60.020000000000003 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' LEU . 20.3 mmt180 -75.47 -62.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 64.129999999999995 110.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.657 HG22 HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -37.95 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.377 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.921 HD22 HD22 ' A' ' 136' ' ' LEU . 4.7 mp -88.13 -61.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 71.120000000000005 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 46.9 t -38.43 -48.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 110.041 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.6 p -52.72 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 72.230000000000004 110.005 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.449 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.06 5.54 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.9 t0 41.15 37.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 60.100000000000001 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.449 ' CG ' HH21 ' A' ' 128' ' ' ARG . 16.0 t0 -40.32 157.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -78.43 -0.07 27.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.62 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.41 -1.66 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 110.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -49.66 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 72.140000000000001 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.76 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -45.12 -34.0 4.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 72.329999999999998 110.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.81 -39.36 80.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 65.439999999999998 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 94' ' ' TRP . 41.4 tp -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.340000000000003 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.669 HE22 HG22 ' A' ' 122' ' ' VAL . 55.4 mm-40 -69.69 -21.35 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 52.43 110.28 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.446 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 14.1 t70 -107.24 -2.72 20.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -99.64 -42.99 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 110.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.796 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -59.24 -16.66 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 109.32 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 145' ' ' GLY . 13.2 ptp180 -100.67 -44.54 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.519999999999996 110.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.507 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 10.7 t-20 -63.44 -10.15 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.07 -40.9 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 72.310000000000002 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -102.73 -57.57 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 108.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 108.88 70.27 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 110.973 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.916 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.6 OUTLIER -156.81 -174.77 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.997 -1.112 . . . . 74.439999999999998 107.997 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -109.16 64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.916 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.5 tt -67.14 -30.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 70.519999999999996 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.634 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -67.32 -10.24 48.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 72.439999999999998 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 51.039999999999999 110.981 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.831 . . . . 71.239999999999995 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.4 Cg_endo -75.03 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 73.230000000000004 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 179.9 177.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.014 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.669 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -69.2 -51.62 17.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -27.85 9.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 55.109999999999999 111.022 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -51.22 -41.06 60.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 73.439999999999998 110.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.839 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -66.96 -36.5 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 64.140000000000001 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -67.62 -35.65 79.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 111.007 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -68.01 -52.71 32.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 109.281 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.901 HD13 ' SG ' ' A' ' 109' ' ' CYS . 9.3 mt -61.03 -25.0 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 74.430000000000007 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -62.04 -50.61 71.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.508 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -73.97 -18.69 79.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 44.109999999999999 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -81.43 2.74 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 73.010000000000005 109.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.64 -69.27 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 169.92 137.15 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 71.030000000000001 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLY . 44.3 tp60 -37.62 -61.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 63.140000000000001 110.337 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.23 -34.53 77.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 63.299999999999997 109.265 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -50.28 -30.48 11.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 71.049999999999997 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.55 -56.33 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.109999999999999 109.292 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 51' ' ' LEU . 2.1 mm? -50.43 -53.29 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 65.450000000000003 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -51.38 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 40.8 mt -39.48 -47.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 60.530000000000001 109.343 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.02 -52.35 58.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 73.329999999999998 109.284 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.0 m80 -62.26 -13.45 28.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.618 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.88 -49.99 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.510000000000005 109.253 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.695 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.72 -13.06 40.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 30.0 mmtt -39.18 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.040000000000006 109.332 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.659 HG22 ' NH1' ' A' ' 34' ' ' ARG . 8.9 m -125.94 107.49 25.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.413 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.58 41.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 45.520000000000003 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.659 ' NH1' HG22 ' A' ' 32' ' ' THR . 3.4 mmm180 -97.95 161.09 26.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 110.336 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 71.439999999999998 110.986 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.8 7.93 37.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.118 . . . . 71.310000000000002 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.08 127.99 36.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.353 -0.981 . . . . 71.340000000000003 108.353 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.26 3.19 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 110.304 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.69 -25.04 8.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 62.039999999999999 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.695 ' CG ' HD22 ' A' ' 30' ' ' LEU . 28.4 tt0 -84.85 -54.82 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 71.420000000000002 110.337 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.799 ' HB3' HD11 ' A' ' 64' ' ' LEU . 17.9 t0 -56.81 -40.9 76.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 73' ' ' VAL . 18.4 tp -61.92 -53.18 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.450000000000003 109.266 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tp -58.4 -27.06 63.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 63.100000000000001 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.689 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.2 t-160 -63.49 -25.35 68.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 109.62 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.44 -14.17 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 52.229999999999997 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.641 ' SD ' HD11 ' A' ' 99' ' ' LEU . 55.7 mtp -98.61 -9.02 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 60.140000000000001 110.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 43' ' ' LEU . 55.2 t -95.44 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 73.530000000000001 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.549999999999997 109.299 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.0 mp -53.2 -49.53 66.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.549999999999997 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.2 mmmt -45.99 -29.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 75.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 24' ' ' LEU . 1.8 mp -85.12 -50.77 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.64 0.49 6.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 72.329999999999998 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.47 84.99 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 72.230000000000004 110.299 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -75.95 -18.22 59.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 110.321 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -40.51 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.374 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.4 mm-40 -93.38 -44.41 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.439999999999998 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.03 -39.35 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 75.299999999999997 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 61' ' ' LEU . 74.9 mtp180 -64.22 -53.28 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 72.219999999999999 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.2 mp -49.3 -44.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 64.549999999999997 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.61 -46.14 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.98 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.903 HD22 ' O ' ' A' ' 70' ' ' ALA . 7.1 mt -60.04 -30.7 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 70.519999999999996 109.335 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.29 -15.22 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 110.247 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . . . -77.56 -1.01 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.799 HD11 ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -121.81 51.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 109.285 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 2.1 mmmm -48.49 -33.59 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.72 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 72.25 109.294 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 69' ' ' VAL . 3.4 t0 -69.19 134.61 49.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.17 -31.86 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.530000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 m -57.45 -21.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.903 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -65.59 -47.72 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 72.120000000000005 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -64.27 -55.29 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.726 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -54.11 -50.13 67.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 62.43 109.266 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 69' ' ' VAL . 42.1 t -58.84 -15.79 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.150000000000006 109.263 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.821 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -75.48 -63.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.726 HH21 HD23 ' A' ' 72' ' ' LEU . 5.9 ptt-85 -73.19 -6.21 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 110.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 tp60 -87.72 -44.02 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.0 m-90 -114.22 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.986 -1.116 . . . . 74.230000000000004 107.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -45.42 -26.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.262 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.45 18.24 78.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 45.409999999999997 110.974 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 44.450000000000003 109.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.305 -0.257 . . . . 74.409999999999997 110.305 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.97 161.27 39.11 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 63.340000000000003 111.007 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.581 1.832 . . . . 52.140000000000001 111.067 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.58 ' OD1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -116.01 20.95 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 54.229999999999997 109.279 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -39.31 -78.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.530000000000001 109.283 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.43 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.3 m -70.57 -45.8 64.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.944 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.137 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -39.8 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.948 -1.13 . . . . 73.219999999999999 107.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.33 -56.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 62.399999999999999 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 92' ' ' VAL . 24.2 t -47.16 -43.88 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.0 -31.29 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' ALA . 4.5 mtt180 -81.11 -18.71 45.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.510000000000005 110.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -82.32 -46.65 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.839 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.3 m-85 -67.36 -20.26 65.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 70.540000000000006 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.11 -31.72 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 75.030000000000001 109.565 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.5 mt -88.92 -29.04 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 72.400000000000006 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 43' ' ' LEU . 56.1 mt -63.99 -19.69 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 65.329999999999998 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.89 -10.04 59.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 44.420000000000002 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.67 -20.38 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 110.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.51 -16.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.400000000000006 110.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp 77.14 23.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.3 -36.55 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 54.539999999999999 109.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.901 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.3 m -138.39 148.94 61.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.140000000000001 108.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 72.219999999999999 111.037 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.72 -14.92 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.328 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.5 m -56.98 -37.88 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 45.219999999999999 109.995 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.474 HD13 ' HE2' ' A' ' 100' ' ' TYR . 70.2 mt -70.32 -44.75 67.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 72.219999999999999 109.336 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.558 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.4 ttp180 -47.98 -23.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 64.430000000000007 110.278 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.589 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -84.87 -70.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.5 109.247 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.433 HG12 ' HD2' ' A' ' 6' ' ' PRO . 18.3 t -40.82 -30.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 75.510000000000005 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.527 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -72.07 -55.3 7.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 54.520000000000003 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.71 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -54.45 -44.34 72.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 61.450000000000003 110.985 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.514 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 62.5 mt-30 -54.39 -47.61 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 110.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.83 -12.77 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 54.329999999999998 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 124' ' ' THR . . . -94.97 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 73.140000000000001 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -52.15 -28.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 60.210000000000001 109.285 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CD ' ' C ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -65.48 -35.13 79.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 71.420000000000002 110.254 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.568 HG23 HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -83.26 -33.29 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 110.382 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 3.6 mt -74.37 -30.13 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.200000000000003 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 t -78.63 -41.11 32.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.995 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -59.12 -40.03 84.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 54.409999999999997 110.009 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.437 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 3.2 ptt85 -101.86 4.74 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.409999999999997 110.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 130' ' ' ASP . 4.0 m-20 40.19 48.14 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 73.519999999999996 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -47.51 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 74.230000000000004 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -87.75 0.69 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 72.219999999999999 109.637 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -119.88 4.11 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 62.130000000000003 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 HE21 ' A' ' 137' ' ' GLN . 0.9 OUTLIER -54.11 -65.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 52.530000000000001 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.793 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -51.77 -31.45 30.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 74.349999999999994 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.87 -32.66 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 71.329999999999998 110.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.137 HD13 ' CE2' ' A' ' 94' ' ' TRP . 37.2 tp -73.23 -44.75 59.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.049999999999997 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.923 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 6.8 mm-40 -64.96 -13.74 58.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.329999999999998 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.3 -15.35 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 63.549999999999997 109.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -92.29 -58.44 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 61.229999999999997 109.291 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 145' ' ' GLY . 55.8 mtm180 -86.29 -59.47 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.299 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.72 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.4 OUTLIER -50.94 -22.64 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.109999999999999 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.72 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.5 mmp_? -83.97 -78.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.25 -56.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 60.409999999999997 108.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 103.13 64.93 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 71.109999999999999 110.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -148.58 -168.6 3.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.005 -1.109 . . . . 75.510000000000005 108.005 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.45 63.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 65.510000000000005 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.601 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.1 tt -62.62 -40.2 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 71.450000000000003 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.6 -26.9 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 63.25 111.034 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.014 -0.834 . . . . 54.310000000000002 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.521 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.03 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 65.150000000000006 111.027 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 81.8 p -179.69 -179.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 51.399999999999999 109.972 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.871 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -70.73 -50.58 12.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.340000000000003 109.278 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -38.46 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 70.439999999999998 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 10.7 t -40.96 -45.23 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 54.240000000000002 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.64 -45.52 93.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 43.210000000000001 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.729 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -57.59 -34.86 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 111.047 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.28 -52.34 48.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 65.129999999999995 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.65 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.0 mt -61.77 -20.07 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 63.149999999999999 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 ' O ' ' A' ' 46' ' ' MET . 1.2 tp -71.83 -41.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.55 1.94 80.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 34.130000000000003 111.025 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.75 6.78 21.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 34.030000000000001 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.54 -63.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 158.82 135.05 1.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 55.210000000000001 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.5 tp60 -36.76 -63.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 53.32 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -37.47 76.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.510000000000005 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.855 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -50.12 -30.04 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.409999999999997 109.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.43 -57.74 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 72.209999999999994 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 ' H ' ' A' ' 24' ' ' LEU . 2.9 mm? -48.91 -54.02 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 64.430000000000007 109.308 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.9 t80 -52.7 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 65.400000000000006 111.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' LYS . 58.6 mt -38.98 -60.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 70.25 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -45.38 -48.32 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 109.311 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.46 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 33.0 m80 -62.39 -32.76 73.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.629 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.3 tttp -72.71 -31.99 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 72.319999999999993 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.641 HD23 ' N ' ' A' ' 30' ' ' LEU . 2.7 mt -73.08 -20.95 60.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.129999999999995 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 8.3 mmtt -39.29 -30.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.540000000000006 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 m -108.56 100.75 39.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 71.129999999999995 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.57 31.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 75.120000000000005 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' NE ' ' CA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -114.24 166.97 10.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 71.439999999999998 110.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.92 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 71.25 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.02 15.19 36.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 33.229999999999997 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 16.0 p -67.98 123.74 21.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.279 -1.008 . . . . 74.439999999999998 108.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.65 0.39 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -116.47 -33.06 1.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 61.119999999999997 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 19.5 tt0 -74.59 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 71.310000000000002 110.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.768 ' CB ' HD21 ' A' ' 64' ' ' LEU . 3.4 t70 -53.51 -36.75 62.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.030000000000001 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 73' ' ' VAL . 4.7 tt -61.34 -57.31 12.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 73.420000000000002 109.289 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 99' ' ' LEU . 1.7 tt -55.72 -30.09 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 64.049999999999997 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.567 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.0 t-160 -56.05 -31.17 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 109.545 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -83.74 -26.29 29.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 73.140000000000001 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 99' ' ' LEU . 75.9 mtp -80.19 -12.06 59.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 61.039999999999999 110.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' LEU . 97.0 t -95.17 -51.19 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.309 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.845 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.35 -48.98 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 61.549999999999997 109.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 77' ' ' TRP . 6.0 mp -53.66 -50.49 65.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.219999999999999 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmmt -51.43 -24.79 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.845 HD12 HD13 ' A' ' 48' ' ' LEU . 9.4 mt -87.12 -43.64 12.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 64.310000000000002 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.56 15.42 8.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 75.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -131.67 80.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 74.239999999999995 110.302 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.9 pt-20 -73.48 -18.4 61.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 63.009999999999998 110.256 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.26 -34.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 110.368 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 12.1 mp0 -86.29 -45.61 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.430000000000007 110.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -44.83 -41.0 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 63.310000000000002 109.316 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -60.19 -40.55 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 71.010000000000005 110.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -63.35 -59.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 62.350000000000001 109.295 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -49.69 -52.4 31.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.140000000000001 110.002 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 74' ' ' ALA . 8.5 mt -56.19 -42.01 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.129999999999995 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.39 -15.06 60.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 110.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' ILE . . . -88.53 12.82 13.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 71.219999999999999 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.768 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.4 mt -125.13 53.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -58.65 -17.36 21.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.200000000000003 109.282 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.05 -56.15 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 72.239999999999995 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.531 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -73.85 131.35 41.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 72.25 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.24 -5.06 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.891 HG22 ' HG2' ' A' ' 89' ' ' PRO . 86.3 t -90.51 -53.47 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -45.8 -28.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 63.009999999999998 109.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -40.57 38.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 63.409999999999997 110.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.938 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -72.79 -10.84 60.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 62.149999999999999 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.858 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.9 t -91.85 -5.62 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.071 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.67 -35.2 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 65.310000000000002 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.938 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.5 ptt-85 -99.12 -5.75 29.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 72.409999999999997 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -89.33 -45.79 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 54.32 110.306 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.871 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.4 m-90 -108.34 -61.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 63.450000000000003 107.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.071 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.35 -23.89 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 72.79 19.41 79.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 111.022 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.5 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 51.210000000000001 109.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.4 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 71.040000000000006 110.331 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.891 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 160.4 40.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 71.200000000000003 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 70.430000000000007 111.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.887 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -118.33 27.02 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 75.439999999999998 109.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.67 -78.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 74.340000000000003 109.276 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.477 ' H ' HG23 ' A' ' 92' ' ' VAL . 11.1 t -65.67 -46.62 78.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 72.439999999999998 110.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.077 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.2 t90 -41.33 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 74.030000000000001 108.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.8 -55.41 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 70.420000000000002 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 23.1 t -47.84 -40.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 64.239999999999995 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -71.75 -29.06 64.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.157 . . . . 75.120000000000005 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.517 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 5.2 mmt180 -75.03 -22.56 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 62.43 110.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 43' ' ' LEU . 3.5 tt -82.18 -52.26 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 71.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.977 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m-85 -60.4 -17.88 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.109999999999999 110.974 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.92 -26.51 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.109999999999999 109.612 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -92.76 -30.78 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 63.32 109.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.742 HD13 ' SG ' ' A' ' 109' ' ' CYS . 15.1 mt -62.96 -25.92 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 64.530000000000001 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.97 -9.89 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.46 -19.84 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 110.339 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.68 -18.59 26.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 110.296 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm 78.42 31.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 70.340000000000003 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.7 mt -102.73 -36.53 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 72.040000000000006 109.302 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.2 m -131.55 145.23 56.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 64.030000000000001 108.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.23 20.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 64.230000000000004 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.95 -10.24 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 61.43 109.249 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -64.08 -34.9 79.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.87 -43.72 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.285 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -49.78 -24.27 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.230000000000004 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.473 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 1.4 m-20 -84.37 -71.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.150000000000006 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.3 t -39.61 -34.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 63.310000000000002 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -69.39 -55.18 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.72 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.3 m-85 -53.32 -46.95 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.655 ' O ' HG22 ' A' ' 122' ' ' VAL . 73.7 mt-30 -48.23 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 55.140000000000001 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.45 -21.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 110.288 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -81.71 -42.97 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 54.130000000000003 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.3 m -66.01 -22.85 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 71.340000000000003 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.62 -69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 75.510000000000005 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -41.47 -27.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 73.430000000000007 110.359 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 6.4 mt -83.97 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 63.200000000000003 109.251 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 133' ' ' LEU . 7.2 t -37.24 -39.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 52.399999999999999 110.014 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -60.67 -56.84 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.549999999999997 109.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -81.84 5.26 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 110.312 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.0 t0 43.6 38.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 74.540000000000006 109.304 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.5 t0 -41.3 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.29 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -81.46 -1.98 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 109.592 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -2.56 14.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 72.239999999999995 110.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.97 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 71.519999999999996 109.329 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.31 -32.77 7.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 74.040000000000006 111.013 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.47 -34.71 74.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 72.329999999999998 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.077 HD13 ' CE2' ' A' ' 94' ' ' TRP . 30.9 tp -69.8 -40.46 75.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.266 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.826 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.3 mm-40 -66.17 -17.95 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.019999999999996 110.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -98.51 -8.04 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.329999999999998 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.427 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -98.3 -53.08 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 64.439999999999998 110.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.28 -17.26 11.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 55.219999999999999 109.307 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.7 mtm180 -93.82 -58.83 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 61.100000000000001 110.331 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.78 -20.28 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 34.119999999999997 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 139' ' ' GLU . 9.2 mmp_? -84.62 -73.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 74.349999999999994 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -71.8 -56.24 6.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 63.509999999999998 108.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 105.0 64.31 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 54.130000000000003 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.78 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -146.43 -169.89 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 73.129999999999995 107.997 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.34 66.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 60.530000000000001 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.78 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.8 tt -70.15 -38.38 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 62.420000000000002 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.826 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.8 -23.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.109999999999999 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 73.129999999999995 110.996 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.998 -0.841 . . . . 64.010000000000005 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.98 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 54.119999999999997 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t 179.38 177.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 74.200000000000003 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.795 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.57 -53.14 31.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 -27.31 10.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.329999999999998 111.048 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.411 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 10.0 t -49.77 -46.35 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 61.149999999999999 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 1.035 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -64.23 -32.34 73.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 62.420000000000002 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -65.08 -34.17 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.25 110.994 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.19 -35.15 71.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.9 HG21 ' SG ' ' A' ' 109' ' ' CYS . 9.7 mt -72.92 -17.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.636 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.4 mt -71.14 -52.27 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.420000000000002 109.256 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.35 -2.14 58.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.55 1.156 . . . . 71.329999999999998 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.95 -23.89 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 73.349999999999994 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.849 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -58.8 -66.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 53.119999999999997 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.5 139.77 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.952 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -39.79 -64.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 64.319999999999993 110.326 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.52 -24.2 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.420000000000002 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.849 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -63.78 -17.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 73.5 109.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.6 mt -91.57 -47.64 7.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.329999999999998 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 51' ' ' LEU . 76.6 mt -59.17 -51.08 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 63.5 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -51.64 -61.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 72.340000000000003 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 108' ' ' LEU . 42.7 mt -54.48 -40.41 68.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 73.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tmmt? -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 61.119999999999997 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 38.8 m80 -75.19 -0.66 20.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.230000000000004 109.633 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 3.0 tptt -94.98 -41.91 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 63.350000000000001 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.778 HD23 ' N ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -77.49 -11.48 59.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.420000000000002 109.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 12.2 mmtt -37.12 -33.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 75.129999999999995 109.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -118.4 120.41 32.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 54.310000000000002 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.33 37.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 45.439999999999998 111.031 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -110.04 162.74 19.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 110.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 74.299999999999997 111.002 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.7 29.37 9.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 71.040000000000006 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 125.34 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.323 -0.991 . . . . 73.5 108.323 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -127.68 2.22 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -105.34 -24.57 7.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.105 . . . . 44.409999999999997 111.025 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.2 tt0 -82.87 -53.26 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 74.340000000000003 110.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.785 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.0 t0 -59.7 -40.94 89.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 1.055 HD21 HG21 ' A' ' 73' ' ' VAL . 1.8 tt -62.01 -52.33 64.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 63.420000000000002 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 99' ' ' LEU . 5.7 tp -57.88 -28.95 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 74.109999999999999 109.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.7 t-160 -61.25 -27.49 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.581 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -89.55 -13.94 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 64.510000000000005 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 99' ' ' LEU . 49.4 mtp -98.16 -7.92 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 72.230000000000004 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.8 t -95.24 -53.26 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 74.209999999999994 109.269 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -41.32 -41.8 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 71.540000000000006 109.317 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 77' ' ' TRP . 1.2 mp -60.25 -48.55 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 64.310000000000002 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -41.29 -29.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 61.32 109.293 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 23' ' ' LEU . 2.8 mt -97.36 -37.67 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 71.439999999999998 109.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 111.75 19.19 7.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HB2' HD12 ' A' ' 48' ' ' LEU . 3.0 mt-30 -116.56 59.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 73.299999999999997 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.2 pt-20 -61.74 -20.26 63.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 62.219999999999999 110.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.86 -44.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 61.229999999999997 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.9 mp0 -79.58 -41.13 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 72.519999999999996 110.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -47.78 -33.32 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 53.310000000000002 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.13 -36.52 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.530000000000001 110.266 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.0 mp -67.77 -51.03 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 73.310000000000002 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 m -56.13 -51.08 69.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.540000000000006 109.973 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.6 mt -50.73 -43.44 58.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 62.32 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.98 -29.61 70.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 110.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -65.32 -12.57 53.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 75.200000000000003 109.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.29 48.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.450000000000003 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.3 -15.8 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.306 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.77 -25.34 26.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 72.439999999999998 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.3 110.33 21.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 109.268 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -68.79 -8.69 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.329999999999998 109.342 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -83.12 -31.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 109.257 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.899 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -68.04 -69.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 53.119999999999997 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -50.23 -21.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 72.109999999999999 110.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.886 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -82.36 -34.06 28.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.337 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 1.055 HG21 HD21 ' A' ' 42' ' ' LEU . 4.8 t -73.71 -6.79 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.140000000000001 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.985 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.55 -36.27 24.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 64.530000000000001 109.296 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.811 ' NH2' HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -97.92 -6.14 32.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 73.219999999999999 110.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 4.4 tp-100 -89.4 -44.91 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.230000000000004 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.838 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.4 m-90 -108.9 -59.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 64.109999999999999 107.967 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.985 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -42.43 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 74.51 41.95 34.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 64.310000000000002 110.969 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 79' ' ' GLY . 23.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 63.439999999999998 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' HB3' HG11 ' A' ' 92' ' ' VAL . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 64.140000000000001 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.02 164.66 32.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 73.010000000000005 110.984 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.04 10.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 75.109999999999999 111.055 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 44.1 m-20 -119.23 26.94 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.82 -79.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 109.32 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.446 ' H ' HG23 ' A' ' 92' ' ' VAL . 58.8 m -68.34 -47.67 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.209999999999994 109.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.1 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -40.16 -68.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 63.5 108.01 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.73 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 64.109999999999999 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 92' ' ' VAL . 22.0 t -48.85 -44.52 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 63.299999999999997 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.482 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.89 -30.15 70.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.230000000000004 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 55.4 mtt180 -80.43 -22.82 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 110.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 43' ' ' LEU . 5.3 tt -81.97 -48.15 11.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 75.219999999999999 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 1.035 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.9 m-85 -66.73 -27.77 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 73.140000000000001 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.6 t60 -53.8 -29.15 39.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 63.399999999999999 109.61 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 1.7 mt -87.85 -40.52 13.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.425 HD22 HD12 ' A' ' 108' ' ' LEU . 96.0 mt -61.81 -14.58 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 109.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.936 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.85 -23.03 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 52.439999999999998 109.28 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.85 -20.21 16.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' ' HG ' ' A' ' 108' ' ' LEU . 67.3 mm-40 -79.5 -8.76 59.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 75.400000000000006 110.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HZ2' ' HB3' ' A' ' 107' ' ' LYS . 1.0 OUTLIER 67.83 20.22 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 35.2 mt -91.58 -37.82 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.030000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.9 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -137.03 148.73 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.25 108.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.93 25.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 63.210000000000001 111.035 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.83 -4.99 54.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 73.030000000000001 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 115' ' ' ASP . 16.1 m -75.82 -8.02 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 110.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.9 mt -100.62 -27.04 13.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 64.540000000000006 109.262 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.936 HH21 ' CB ' ' A' ' 104' ' ' ALA . 13.0 ttm180 -73.5 -28.15 61.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 71.150000000000006 110.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 2.0 p30 -77.81 -50.57 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.409999999999997 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.3 t -61.71 -34.48 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.219999999999999 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.55 90.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 74.019999999999996 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.892 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.8 m-85 -65.77 -43.59 88.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 63.219999999999999 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.2 mt-30 -52.94 -50.22 64.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.519999999999996 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HB3' ' NH2' ' A' ' 123' ' ' ARG . 49.2 mt-10 -64.22 -10.75 25.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 110.361 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -96.57 -29.08 14.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 72.109999999999999 109.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.07 -29.07 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 61.109999999999999 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.83 -21.06 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.327 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.661 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -82.62 -40.02 21.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 70.310000000000002 110.398 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 124' ' ' THR . 4.8 mp -80.67 -36.52 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.329999999999998 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 29.7 t -68.09 -37.84 81.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 t -63.99 -43.88 94.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 65.510000000000005 109.986 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -89.94 -5.27 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 63.439999999999998 110.313 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 45.1 t0 54.74 43.38 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.530000000000001 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 20.3 t0 -52.13 177.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 71.120000000000005 109.276 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -98.24 2.37 48.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.200000000000003 109.6 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.2 -3.26 12.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 71.420000000000002 110.306 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.25 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 71.219999999999999 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.695 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.6 -34.2 13.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.05 -32.86 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 73.5 110.317 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.1 HD13 ' CE2' ' A' ' 94' ' ' TRP . 32.9 tp -72.08 -41.8 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 70.329999999999998 109.263 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.794 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 40.6 mm-40 -62.81 -13.57 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 72.019999999999996 110.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -106.66 -4.81 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.6 tt0 -99.33 -45.32 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 53.439999999999998 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -69.5 -13.99 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 53.420000000000002 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' GLY . 28.0 mtm180 -92.92 -61.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.55 -22.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.239999999999995 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.441 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.6 mmp_? -84.7 -78.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 110.328 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.49 -55.21 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.519999999999996 108.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.5 69.01 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 60.539999999999999 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.13 -170.57 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.976 -1.12 . . . . 71.019999999999996 107.976 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.49 63.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.278 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.8 tt -72.35 -18.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 64.349999999999994 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -71.23 -6.92 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 72.420000000000002 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 55.329999999999998 111.047 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.829 . . . . 63.100000000000001 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -168.14 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.523 1.801 . . . . 73.409999999999997 110.991 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.64 177.83 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 71.349999999999994 110.02 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.84 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.09 -52.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.109999999999999 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -29.32 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 65.540000000000006 111.019 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 t -47.71 -45.47 28.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.349999999999994 109.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.89 -30.74 71.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.210000000000001 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -68.78 -36.89 78.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.439999999999998 111.044 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.08 -35.16 71.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 71.530000000000001 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 11' ' ' ALA . 9.8 mt -70.66 -26.06 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 70.120000000000005 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 HD21 ' A' ' 43' ' ' LEU . 1.6 mt -61.11 -50.78 71.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 71.430000000000007 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.3 58.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 70.420000000000002 110.964 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.69 15.34 28.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.777 . . . . 73.109999999999999 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.67 -61.2 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 71.140000000000001 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 154.96 132.77 1.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 72.010000000000005 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' GLY . 6.9 tp-100 -37.29 -56.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 75.120000000000005 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.29 -40.73 96.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.049999999999997 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -47.49 -31.59 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 71.420000000000002 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -52.1 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 41.140000000000001 109.3 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -53.52 -50.13 66.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 63.43 109.258 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.41 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.420000000000002 110.99 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' OE2' ' A' ' 106' ' ' GLU . 33.8 mt -42.94 -43.3 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 71.200000000000003 109.27 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -53.49 -52.79 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 54.329999999999998 109.269 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.435 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.0 m80 -62.8 -12.97 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.609 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -86.68 -50.62 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 65.530000000000001 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.64 -13.27 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 70.409999999999997 109.321 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 21.0 mmtt -38.78 -40.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 51.439999999999998 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' NH1' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -119.91 120.55 30.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.319999999999993 110.443 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 74.400000000000006 111.012 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 7.6 mmm180 -103.34 163.43 17.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 71.420000000000002 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 97.62 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 63.119999999999997 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.74 22.76 15.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 111.027 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 125.19 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.278 -1.008 . . . . 70.400000000000006 108.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -126.91 0.63 6.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 110.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.52 -28.41 7.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 110.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG2' HD22 ' A' ' 30' ' ' LEU . 22.8 tt0 -78.89 -56.78 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 73.319999999999993 110.341 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.783 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.3 t0 -53.14 -40.16 64.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.954 HD21 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -63.4 -54.74 31.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.450000000000003 109.251 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 103' ' ' LEU . 1.1 tt -54.34 -27.62 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 70.400000000000006 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.841 ' HA ' HD12 ' A' ' 30' ' ' LEU . 1.9 t60 -60.54 -33.83 73.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 74.150000000000006 109.61 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -78.49 -29.16 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 74.420000000000002 109.255 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.425 ' HE2' ' HB3' ' A' ' 46' ' ' MET . 84.9 mtp -83.64 -9.47 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.329999999999998 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.618 HG23 ' CD2' ' A' ' 43' ' ' LEU . 14.2 t -95.23 -53.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 70.010000000000005 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -40.27 -45.39 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.040000000000006 109.307 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 54' ' ' GLU . 12.8 mt -55.6 -49.44 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.439999999999998 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 1.9 mmmp? -45.33 -26.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 109.322 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -92.07 -43.61 9.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 109.303 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.64 16.86 6.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.402 ' OE1' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -126.06 83.24 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 63.450000000000003 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -77.34 -17.43 58.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 62.450000000000003 110.302 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.94 -34.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 110.354 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ILE . 4.2 mp0 -89.51 -45.14 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.16 -41.01 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.140000000000001 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -57.56 -46.2 84.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.120000000000005 110.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mp -59.21 -61.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.540000000000006 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.31 -53.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 109.981 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 70' ' ' ALA . 2.6 mt -56.62 -47.13 80.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' ILE . 41.6 tp10 -64.21 -15.15 59.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.120000000000005 110.286 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.73 17.26 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 60.130000000000003 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.783 HD21 ' CB ' ' A' ' 41' ' ' ASP . 2.8 mt -138.31 54.49 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.329999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 9.1 mmmm -67.88 -9.86 48.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 -23.41 36.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 51.240000000000002 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.21 139.27 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 24.23 109.316 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.419 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . . . -91.46 -18.35 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 55.530000000000001 109.3 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 ' CB ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -77.52 -17.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 71.450000000000003 109.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.11 -64.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 63.25 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -56.75 -35.9 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 110.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.7 -31.11 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.120000000000005 109.333 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.954 HG21 HD21 ' A' ' 42' ' ' LEU . 10.3 t -76.59 -5.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 54.200000000000003 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.935 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.05 -37.76 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 72.129999999999995 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.484 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 6.9 ptt-85 -98.49 -8.09 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.049999999999997 110.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 tp-100 -88.04 -43.64 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 73.409999999999997 110.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.84 ' CH2' HD22 ' A' ' 8' ' ' LEU . 20.5 m-90 -109.6 -58.23 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 108.018 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.935 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.49 -32.97 70.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 109.326 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.44 35.72 90.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.448 1.093 . . . . 62.020000000000003 111.032 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG22 ' C ' ' A' ' 74' ' ' ALA . 15.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 75.340000000000003 109.316 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.291 -0.263 . . . . 74.299999999999997 110.291 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' HG23 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 73.329999999999998 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' PRO . 18.3 Cg_endo -75.0 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 61.310000000000002 111.007 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.62 25.03 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.313 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -44.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.530000000000001 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' VAL . 2.7 m -106.42 -38.87 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 61.32 110.016 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.058 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -46.05 -48.68 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 74.420000000000002 107.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.867 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -58.73 -36.84 74.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 63.140000000000001 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' SER . 30.6 t -65.83 -18.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 73.540000000000006 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.83 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -91.09 -32.84 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 63.039999999999999 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.585 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 43.1 mtt180 -84.02 -20.15 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.0 tp -85.05 -50.27 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.5 m-85 -64.74 -27.47 68.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.6 t60 -60.19 -18.86 51.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 62.439999999999998 109.621 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 7.7 mt -97.25 -24.7 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 109.265 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 43' ' ' LEU . 48.2 mt -71.52 -23.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 63.310000000000002 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 61.450000000000003 109.279 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . 0.4 ' CD ' ' HA ' ' A' ' 102' ' ' LEU . 5.5 mt-10 -99.19 -18.76 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 54.329999999999998 110.351 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.758 ' OE1' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.84 -8.64 16.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 76.64 40.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 71.030000000000001 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 103' ' ' LEU . 9.2 mt -95.84 -39.51 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 43.329999999999998 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -140.64 147.71 50.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 52.299999999999997 108.267 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.6 Cg_endo -74.96 146.4 32.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 60.149999999999999 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -46.18 -25.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 109.273 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.974 ' O ' HG23 ' A' ' 116' ' ' VAL . 70.1 m -51.63 -45.37 63.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 72.140000000000001 110.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.23 -31.98 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.299999999999997 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.551 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 3.0 ttp180 -66.52 -30.35 70.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.3 OUTLIER -84.0 -47.18 11.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.099999999999994 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 112' ' ' SER . 22.1 t -57.7 -36.96 56.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.019999999999996 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.58 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.150000000000006 109.314 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.83 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 2.9 m-85 -65.95 -45.95 79.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 73.120000000000005 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -51.0 -53.32 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 72.230000000000004 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -17.16 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 110.31 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.78 -19.01 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.629 HG13 ' OE1' ' A' ' 137' ' ' GLN . 29.7 t -85.81 -25.37 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 63.219999999999999 109.319 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -87.46 -29.15 21.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 72.549999999999997 110.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.9 t -69.62 -45.69 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 110.42 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.913 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.4 mp -65.79 -43.42 88.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 65.140000000000001 109.318 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.51 ' OG ' HD21 ' A' ' 133' ' ' LEU . 15.8 m -64.19 -46.19 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.219999999999999 109.949 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 m -54.08 -54.52 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 73.530000000000001 110.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.407 ' NE ' HD12 ' A' ' 125' ' ' LEU . 7.9 ptt180 -81.52 -4.46 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.519999999999996 110.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.4 t0 45.22 57.74 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.549999999999997 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.04 -174.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 109.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.27 0.55 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 75.239999999999995 109.611 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.553 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -110.14 10.08 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 70.310000000000002 110.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.51 HD21 ' OG ' ' A' ' 126' ' ' SER . 2.9 tm? -61.51 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.458 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.54 -28.23 28.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 42.310000000000002 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.61 -30.78 69.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 70.209999999999994 110.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.058 HD13 ' CE2' ' A' ' 94' ' ' TRP . 47.6 tp -80.43 -38.14 30.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.239999999999995 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.7 mm-40 -62.35 -15.28 47.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.18 -3.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -99.24 -46.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 70.319999999999993 110.336 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -68.4 -10.7 56.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 51.219999999999999 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 55.7 mtm180 -97.5 -59.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -22.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 64.430000000000007 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 15.1 mmp_? -86.13 -78.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 64.349999999999994 110.29 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.8 -55.64 16.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 63.409999999999997 108.273 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.0 68.88 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.973 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -149.28 -169.88 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.997 -1.112 . . . . 75.439999999999998 107.997 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -113.59 61.2 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 63.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.973 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.7 tt -72.22 -18.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.335 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -61.47 -15.0 33.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 75.5 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 71.230000000000004 110.988 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' HG11 ' A' ' 116' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 32.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.676 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 -170.48 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 61.299999999999997 111.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.553 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 m -170.06 -177.82 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.409999999999997 109.969 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.489 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.81 -53.99 10.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.233 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -75.0 -30.63 6.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 72.349999999999994 111.005 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -47.14 -46.21 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 52.240000000000002 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.53 -31.73 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 109.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.813 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -70.25 -36.48 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 61.020000000000003 110.985 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.23 -52.55 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 61.109999999999999 109.251 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 6.9 mt -61.87 -24.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -51.93 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 62.229999999999997 109.343 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -74.15 -14.46 80.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -86.35 3.29 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 72.209999999999994 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.872 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -83.06 -70.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.340000000000003 109.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 170.91 136.8 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 44.020000000000003 111.016 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 9.5 tp-100 -37.41 -60.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 71.120000000000005 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.03 -35.18 79.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 62.409999999999997 109.312 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.872 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 tptt -49.1 -30.64 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -56.29 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 64.409999999999997 109.274 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.47 HD13 HD22 ' A' ' 51' ' ' LEU . 2.4 mm? -50.01 -52.43 34.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -51.79 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 110.98 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 62.7 mt -39.65 -46.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 73.409999999999997 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.08 -52.72 57.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 74.219999999999999 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.4 m80 -61.38 -14.25 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -86.33 -49.92 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 72.200000000000003 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.785 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -63.24 -13.69 40.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 50.409999999999997 109.297 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 29.7 mmtt -39.4 -33.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.230000000000004 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -123.52 109.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 65.209999999999994 110.409 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.8 38.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 75.200000000000003 111.037 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -91.36 160.51 36.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 74.239999999999995 110.323 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 97.51 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 71.200000000000003 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.92 9.38 32.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.39 126.85 36.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 75.030000000000001 108.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -128.4 2.69 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 51.350000000000001 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.507 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.63 -25.14 7.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 52.310000000000002 111.018 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.785 ' CG ' HD22 ' A' ' 30' ' ' LEU . 33.8 tt0 -83.6 -55.59 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 74.319999999999993 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.8 t0 -57.28 -40.52 77.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 60.219999999999999 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 73' ' ' VAL . 18.1 tp -62.08 -48.93 78.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 53.409999999999997 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.0 tp -60.13 -31.98 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 63.32 109.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.63 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.1 t-160 -60.1 -23.71 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 73.239999999999995 109.63 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . . . -82.96 -20.65 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 53.340000000000003 109.253 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.7 mtp -97.38 -11.1 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 110.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 43' ' ' LEU . 44.5 t -87.98 -58.11 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.5 109.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 51' ' ' LEU . 1.4 mm? -40.82 -33.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 74.200000000000003 109.297 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 1.4 mt -61.31 -52.77 63.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 72.530000000000001 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 mmmt -51.93 -21.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 73.239999999999995 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 48' ' ' LEU . 2.7 mt -88.96 -43.13 11.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 62.229999999999997 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.33 21.58 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 62.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.85 79.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 75.129999999999995 110.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.52 -19.06 63.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 70.040000000000006 110.357 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -39.69 -29.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 64.329999999999998 110.389 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm-40 -93.94 -43.46 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 110.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.22 -36.54 3.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 54.340000000000003 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.2 mtp180 -68.37 -55.8 10.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 75.230000000000004 110.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.1 mp -47.68 -46.92 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.450000000000003 109.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -59.03 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 62.210000000000001 109.976 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 74' ' ' ALA . 12.6 mt -55.24 -42.18 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.42 -16.03 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 55.140000000000001 110.347 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -83.25 5.62 22.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 41' ' ' ASP . 7.7 mt -122.04 49.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 43.140000000000001 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -54.02 -22.92 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 72.140000000000001 109.279 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.38 28.38 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 61.109999999999999 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.13 132.01 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 60.439999999999998 109.268 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -89.88 -24.29 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 70.400000000000006 109.298 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.1 t -66.48 -14.73 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 71.030000000000001 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -77.44 -48.54 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 43.409999999999997 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -66.35 -22.9 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 75.019999999999996 110.264 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 72' ' ' LEU . 1.2 tm? -89.08 -41.97 12.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.519999999999996 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 42' ' ' LEU . 25.0 t -69.45 -8.84 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.32 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.065 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -81.13 -39.43 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 61.539999999999999 109.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -98.39 -6.02 31.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 72.549999999999997 110.291 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.9 OUTLIER -84.34 -44.47 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 110.29 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 27.0 m-90 -116.49 -62.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 74.209999999999994 107.97 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.065 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.3 -29.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 74.120000000000005 109.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.37 20.49 69.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 65.129999999999995 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.665 HG21 ' HB1' ' A' ' 74' ' ' ALA . 2.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 72.239999999999995 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.3 -0.259 . . . . 62.020000000000003 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 50.329999999999998 111.041 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.52 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 74.099999999999994 111.029 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.523 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -119.51 25.27 10.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 74.010000000000005 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -39.84 -45.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 52.520000000000003 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -42.23 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 51.100000000000001 109.98 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.105 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.3 t90 -45.97 -56.38 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 75.200000000000003 108.002 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.23 -42.41 20.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.119999999999997 109.3 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.553 HG11 ' C ' ' A' ' 7' ' ' SER . 14.8 t -62.73 -39.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 71.450000000000003 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.36 68.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 64.239999999999995 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -85.96 -23.64 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tp -74.53 -45.94 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.109999999999999 109.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -67.54 -33.84 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 111.024 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -49.71 -27.69 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.572 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.7 mt -90.72 -35.86 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 54.530000000000001 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 108' ' ' LEU . 39.8 mt -62.69 -23.15 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.02 -12.75 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 52.299999999999997 109.333 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -99.87 -19.55 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.31 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' OE1' HD21 ' A' ' 26' ' ' LEU . 24.9 mm-40 -83.87 -18.58 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 51.509999999999998 110.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt 77.09 44.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 52.140000000000001 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 21.8 mt -112.23 -37.85 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 55.43 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.9 p -136.29 154.97 77.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 45.409999999999997 108.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.99 30.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 72.140000000000001 110.979 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.23 51.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.310000000000002 109.31 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.1 m -62.99 -53.49 53.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 51.32 110.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -52.03 -37.42 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 55.340000000000003 109.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -62.43 -30.24 71.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 62.5 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -81.86 -48.53 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.295 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.464 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 25.1 t -56.76 -37.48 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 71.310000000000002 109.284 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.86 81.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.3 m-85 -62.13 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.319999999999993 111.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -54.12 -63.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.530000000000001 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.14 -19.16 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.95 -30.66 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 54.340000000000003 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.646 HG22 HE22 ' A' ' 137' ' ' GLN . 49.1 t -73.53 -27.07 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 61.109999999999999 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.7 mmt180 -75.64 -67.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 73.040000000000006 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.43 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 41.310000000000002 110.411 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.652 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -84.42 -65.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 74.040000000000006 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.495 ' N ' HD23 ' A' ' 133' ' ' LEU . 12.9 t -37.46 -46.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 62.530000000000001 109.969 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -54.69 -59.15 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.509999999999998 110.016 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -80.65 5.38 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.030000000000001 110.322 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 125' ' ' LEU . 28.8 t0 45.22 38.02 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 61.310000000000002 109.241 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.433 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 16.5 t0 -40.65 153.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 109.321 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -74.42 -6.52 48.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.32 109.597 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.39 -0.01 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -49.66 -66.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 70.549999999999997 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.718 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.84 -32.35 40.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 53.409999999999997 111.0 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.96 -34.88 79.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 72.510000000000005 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.105 HD13 ' CE2' ' A' ' 94' ' ' TRP . 65.3 tp -71.92 -38.93 69.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 62.119999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.646 HE22 HG22 ' A' ' 122' ' ' VAL . 41.5 mm-40 -61.62 -18.39 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 61.32 110.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.19 -14.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.328 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.06 -53.98 4.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 110.272 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.533 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -60.85 -14.98 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 53.210000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.0 mtm180 -90.9 -62.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.010000000000005 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.31 -22.26 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 71.329999999999998 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? -84.35 -78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 50.25 110.313 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.26 -55.16 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 108.312 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.17 68.28 0.83 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 111.006 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.972 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.78 -169.94 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.003 -1.11 . . . . 70.25 108.003 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.71 61.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 74.109999999999999 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.972 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.3 tt -70.12 -37.0 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.519999999999996 109.328 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.28 -29.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 54.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 110.987 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.964 -0.854 . . . . 74.040000000000006 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -75.03 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 71.400000000000006 110.967 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.52 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.0 t 179.95 175.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 45.25 109.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -67.28 -52.67 28.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.328 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -29.4 8.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 65.510000000000005 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -46.89 -44.49 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 53.25 110.061 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.95 -32.28 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 51.399999999999999 109.283 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.811 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -75.94 -32.76 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.349999999999994 110.986 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.34 -34.47 74.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.94 -29.67 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 72.319999999999993 109.331 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mt -58.41 -53.18 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 65.540000000000006 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.13 -5.24 52.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 64.549999999999997 110.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.62 17.96 19.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.731 . . . . 33.399999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.72 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.34 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.26 135.08 1.77 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 24.510000000000002 111.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' GLY . 42.0 tp60 -36.51 -64.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 110.312 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -38.6 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -49.12 -30.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 74.400000000000006 109.283 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.524 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.16 -65.02 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 75.120000000000005 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.55 ' CD2' ' HZ1' ' A' ' 27' ' ' LYS . 68.3 mt -42.74 -56.44 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.010000000000005 109.278 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.13 -59.2 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 72.099999999999994 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.986 HD21 ' OE1' ' A' ' 106' ' ' GLU . 10.4 mt -40.17 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 42.039999999999999 109.307 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.707 ' HE3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -46.22 -62.52 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.277 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HZ3' ' A' ' 27' ' ' LYS . 86.9 m-70 -41.51 -28.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 109.625 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.4 tttp -82.33 -53.99 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 70.340000000000003 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 40' ' ' GLN . 6.3 mp -56.54 -18.94 13.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 72.310000000000002 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.0 mmtt -35.75 -37.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 72.219999999999999 109.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -109.76 112.86 58.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 51.399999999999999 110.356 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.06 41.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 72.140000000000001 111.018 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.1 mmm-85 -100.52 162.44 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.140000000000001 110.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.526 1.803 . . . . 51.32 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.99 29.18 9.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.142 . . . . 72.329999999999998 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.79 127.73 48.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 44.420000000000002 108.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -128.05 1.67 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 75.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 -26.84 7.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 63.32 111.002 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.789 ' O ' HD23 ' A' ' 30' ' ' LEU . 39.6 tt0 -79.3 -55.31 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 62.409999999999997 110.252 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.843 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.4 t0 -54.9 -37.63 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 62.210000000000001 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.77 -44.22 97.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.530000000000001 109.327 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -65.63 -34.11 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 71.299999999999997 109.273 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.3 t-160 -58.3 -22.25 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 75.319999999999993 109.558 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -90.59 -20.06 23.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 54.3 mtp -97.52 -7.82 30.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 HD23 ' A' ' 43' ' ' LEU . 19.8 t -92.08 -55.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 109.32 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.941 HD13 HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -40.1 -42.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.150000000000006 109.284 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.8 mt -53.01 -55.65 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.716 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 2.0 mmmp? -44.37 -27.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.941 HD12 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -85.8 -47.59 9.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 64.239999999999995 109.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.25 11.65 8.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.6 82.41 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 65.310000000000002 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.59 -19.04 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.430000000000007 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -38.44 -36.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 74.099999999999994 110.408 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.72 -44.38 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 110.321 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.42 -36.92 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 74.319999999999993 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -63.63 -48.12 78.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 63.450000000000003 110.327 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.29 -46.22 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.25 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -62.45 -46.66 87.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.099999999999994 110.018 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 70' ' ' ALA . 10.3 mt -57.56 -38.82 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 11.2 tt0 -71.24 -18.06 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 54.409999999999997 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -77.1 -2.31 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 41.210000000000001 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.843 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.7 mt -123.14 51.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 62.210000000000001 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 32.2 mtmt -62.14 -15.38 45.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 53.43 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -25.46 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 52.340000000000003 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.83 133.23 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 75.549999999999997 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -91.08 -2.1 57.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.872 HG22 ' HG2' ' A' ' 89' ' ' PRO . 73.8 t -84.51 -39.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 64.140000000000001 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -53.56 -56.88 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 61.420000000000002 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -53.51 -52.99 57.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 74.340000000000003 110.279 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 72' ' ' LEU . 1.3 tm? -63.01 -23.34 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 63.210000000000001 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.806 HG22 ' HZ3' ' A' ' 77' ' ' TRP . 5.8 t -92.53 -3.86 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 64.219999999999999 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.055 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.64 -37.72 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 62.329999999999998 109.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 4.2 ptt-85 -98.79 -6.25 29.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -89.49 -46.83 8.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 110.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.811 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.5 m-90 -106.03 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.099999999999994 108.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.055 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.18 -50.97 63.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 95.46 25.68 13.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 41.43 110.969 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.717 HG21 ' HB1' ' A' ' 74' ' ' ALA . 98.4 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 52.5 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.267 -0.272 . . . . 71.530000000000001 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.872 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 74.230000000000004 111.051 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 61.299999999999997 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.656 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.54 24.64 10.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 73.040000000000006 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -42.92 -43.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 74.319999999999993 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.5 t -103.05 -38.5 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 73.209999999999994 110.017 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.061 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -46.05 -57.21 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 71.540000000000006 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -49.51 -32.29 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' C ' ' A' ' 7' ' ' SER . 5.8 t -76.6 -32.31 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 65.209999999999994 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 73.049999999999997 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.563 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 9.2 mtt180 -75.13 -26.5 59.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.310000000000002 110.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.701 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.9 tt -73.65 -54.93 6.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m-85 -62.6 -23.07 66.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 61.229999999999997 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -65.04 -21.86 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.209999999999994 109.58 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -96.85 -26.13 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.519999999999996 109.298 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 43' ' ' LEU . 91.0 mt -70.65 -18.06 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ALA . . . . . 0.838 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -83.72 -2.36 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 70.140000000000001 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -99.58 -16.85 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.019999999999996 110.261 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.986 ' OE1' HD21 ' A' ' 26' ' ' LEU . 1.5 pt-20 -106.94 -1.23 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.269 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt 70.43 30.22 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.326 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 18.9 mt -88.43 -27.93 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 34.229999999999997 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.488 ' SG ' HD13 ' A' ' 113' ' ' LEU . 4.5 t -160.3 138.54 7.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 60.030000000000001 108.278 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -74.98 145.33 31.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 60.140000000000001 111.023 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' SG ' ' A' ' 144' ' ' CYS . . . -47.63 -24.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 54.32 109.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 110' ' ' PRO . 1.2 m -37.81 -45.97 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 54.310000000000002 110.044 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.488 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.9 mp -76.33 -52.27 10.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.838 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.3 ttm180 -38.14 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 73.040000000000006 110.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.476 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 0.5 OUTLIER -75.17 -63.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.311 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.97 -40.94 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 61.009999999999998 109.281 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -61.37 -57.26 13.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.891 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.1 m-85 -48.52 -40.13 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 110.972 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.451 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.6 mt-30 -57.74 -45.95 85.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 65.230000000000004 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.73 -10.53 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 53.530000000000001 110.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.572 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -96.97 -29.91 13.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.49 -30.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 63.439999999999998 109.338 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -33.05 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.329999999999998 110.343 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -77.8 -36.73 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 73.010000000000005 110.373 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -80.12 -34.56 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 72.019999999999996 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.7 t -70.32 -40.72 74.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 52.32 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.4 p -60.73 -43.5 97.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 73.230000000000004 110.01 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.5 ptt85 -95.61 1.81 53.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.109999999999999 110.278 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.2 t0 44.17 48.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.530000000000001 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.49 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.1 t0 -50.08 177.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -93.79 -0.37 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.519 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.49 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -116.04 -1.43 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 75.230000000000004 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.4 tm? -48.86 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 61.350000000000001 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.771 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.84 -33.5 13.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 74.549999999999997 111.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -33.32 73.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 74.519999999999996 110.302 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 94' ' ' TRP . 58.9 tp -72.31 -41.09 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 62.420000000000002 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.785 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.8 mm-40 -63.18 -14.59 50.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 71.310000000000002 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.58 -4.35 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 73.109999999999999 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 7.6 tt0 -99.4 -45.49 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 54.340000000000003 110.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.21 -13.01 62.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.229999999999997 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 145' ' ' GLY . 48.5 mtm180 -94.28 -60.15 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -21.85 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.219999999999999 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.9 mmp_? -84.99 -77.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.624 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -65.87 -55.54 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 63.140000000000001 108.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.27 67.73 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 73.019999999999996 111.026 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.968 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -170.7 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.003 -1.11 . . . . 74.340000000000003 108.003 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.39 61.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.409999999999997 109.335 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.968 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -70.2 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.785 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -80.63 2.51 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 44.329999999999998 109.282 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 32.299999999999997 110.987 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.015 -0.834 . . . . 52.009999999999998 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.541 1.811 . . . . 65.230000000000004 110.986 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -179.94 172.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.040000000000006 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.668 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -67.58 -52.13 28.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.120000000000005 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.03 -26.33 10.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 63.340000000000003 111.012 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.439 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 20.3 m -49.8 -45.71 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 75.25 110.022 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.03 -31.85 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 64.319999999999993 109.263 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -76.28 -31.72 58.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 61.219999999999999 111.033 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.96 -40.34 72.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.885 HG21 ' SG ' ' A' ' 109' ' ' CYS . 10.8 mt -69.23 -19.27 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 72.049999999999997 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.833 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.48 -56.27 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 54.140000000000001 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE3' ' A' ' 50' ' ' LYS . . . -66.7 -8.81 49.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 75.219999999999999 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.91 16.45 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 73.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.07 -77.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 71.299999999999997 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.792 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.94 137.36 2.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 70.400000000000006 111.014 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -42.9 -48.27 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 73.25 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.2 -28.35 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 109.33 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.68 -26.37 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 53.43 109.256 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.39 -55.49 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 41.420000000000002 109.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.591 ' CD2' HD13 ' A' ' 51' ' ' LEU . 77.4 mt -47.64 -41.68 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 72.150000000000006 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -62.83 -75.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 75.349999999999994 111.005 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 50.8 mt -39.09 -38.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 70.409999999999997 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -54.42 -55.98 23.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.319999999999993 109.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 36.8 m80 -64.45 -12.15 40.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 109.547 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.79 -39.44 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.140000000000001 109.343 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -69.43 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.530000000000001 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 23.8 mmtt -39.06 -31.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.8 m -114.69 90.54 22.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 72.319999999999993 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.44 42.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 72.019999999999996 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -95.47 165.27 17.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 73.209999999999994 110.309 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.56 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 73.239999999999995 111.017 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.63 6.05 33.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.62 124.69 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.257 -1.016 . . . . 64.140000000000001 108.257 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -122.0 -4.71 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 75.219999999999999 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.94 -33.6 3.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 55.409999999999997 111.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HG2' HD22 ' A' ' 30' ' ' LEU . 1.1 tt0 -72.96 -62.23 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 64.340000000000003 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.7 t0 -54.57 -41.76 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 61.329999999999998 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.85 -55.49 29.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 54.530000000000001 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD11 ' A' ' 15' ' ' LEU . 4.0 tp -56.22 -31.57 63.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 70.310000000000002 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.7 t-160 -56.94 -28.28 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 73.430000000000007 109.595 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -84.93 -23.02 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 61.420000000000002 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.607 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 48.6 mtp -91.19 -8.61 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.977 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.6 t -93.88 -53.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.229999999999997 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.1 mm? -40.22 -45.43 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.420000000000002 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.4 mt -51.86 -57.86 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 54.149999999999999 109.319 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' CA ' ' A' ' 16' ' ' GLY . 21.7 mmtt -42.81 -28.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 73.299999999999997 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.671 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -84.88 -45.56 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 53.240000000000002 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.94 18.25 6.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 44.240000000000002 110.995 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.76 81.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 71.400000000000006 110.293 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -71.8 -18.91 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 63.399999999999999 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.61 -38.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 63.329999999999998 110.38 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.2 mm-40 -82.48 -47.77 11.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 110.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -42.38 -40.14 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 73.010000000000005 109.317 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -62.07 -47.53 84.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 72.400000000000006 110.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -54.73 -59.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.25 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -51.52 -45.78 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.053 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.4 mt -55.25 -39.53 69.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 51.420000000000002 109.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.85 -18.18 59.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 54.240000000000002 110.275 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.87 -4.37 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 52.549999999999997 109.294 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -122.62 54.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.43 109.31 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -55.06 -22.54 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 74.25 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.71 -59.31 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 43.32 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.24 120.31 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.311 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . . . -81.58 -1.54 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 61.310000000000002 109.283 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' ASP . 2.9 t -93.96 -7.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 60.100000000000001 109.327 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.708 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -88.56 -19.33 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -89.27 -30.63 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 63.43 110.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.695 HD23 ' NH2' ' A' ' 75' ' ' ARG . 1.9 tm? -82.88 -37.41 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 61.420000000000002 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.766 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.8 t -70.66 -4.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.430000000000007 109.299 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB1' HG21 ' A' ' 80' ' ' VAL . . . -79.83 -63.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 63.140000000000001 109.304 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.695 ' NH2' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -78.41 -7.5 57.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 64.219999999999999 110.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp60 -84.97 -43.97 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 62.200000000000003 110.282 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.793 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.6 m-90 -117.08 -59.55 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 108.04 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.26 -24.94 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 62.310000000000002 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 67.88 26.43 73.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 53.43 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.881 HG21 ' HB1' ' A' ' 74' ' ' ALA . 97.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 75.230000000000004 109.359 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HB3' HG11 ' A' ' 92' ' ' VAL . 7.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.289 -0.263 . . . . 75.519999999999996 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.99 165.4 31.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 50.350000000000001 110.999 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.09 7.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 60.229999999999997 110.994 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.636 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -116.94 25.71 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 52.130000000000003 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -48.71 -79.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 73.329999999999998 109.306 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.488 ' H ' HG23 ' A' ' 92' ' ' VAL . 47.3 m -65.66 -49.28 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 53.520000000000003 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.6 t90 -40.63 -65.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.219999999999999 107.973 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.47 -56.67 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 73.430000000000007 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 92' ' ' VAL . 26.3 t -46.05 -39.53 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.068 . . . . 72.340000000000003 109.314 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -70.87 -36.95 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 63.049999999999997 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.644 HH21 ' CD ' ' A' ' 139' ' ' GLU . 3.1 mtt180 -75.31 -19.22 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.310000000000002 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.742 HD11 HD13 ' A' ' 43' ' ' LEU . 1.7 tp -83.62 -41.29 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.354 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.905 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -72.07 -37.23 69.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 71.510000000000005 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -47.12 -25.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 70.530000000000001 109.578 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 5.7 mt -92.4 -34.17 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 64.349999999999994 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.502 HD11 ' HB1' ' A' ' 11' ' ' ALA . 97.1 mt -64.96 -13.55 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.549999999999997 109.293 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.4 -11.83 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.439999999999998 110.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.89 -18.14 29.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 75.140000000000001 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 77.5 30.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.510000000000005 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.9 mt -99.94 -34.03 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.319999999999993 109.314 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.885 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.4 m -137.32 149.38 65.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.420000000000002 108.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 72.239999999999995 110.976 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ALA . . . . . 0.529 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.24 -6.14 46.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 109.276 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 78.3 p -65.24 -44.58 87.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.030000000000001 109.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.716 HD23 ' HE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -64.86 -36.93 85.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.1 ttp180 -53.45 -29.58 36.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.31 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 7.6 m-20 -81.13 -67.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 50.520000000000003 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -40.79 -37.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.322 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.98 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 64.340000000000003 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 m-85 -53.15 -42.86 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.200000000000003 110.965 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -53.78 -54.45 38.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 71.310000000000002 110.26 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.32 -18.61 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 64.340000000000003 110.269 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.519 ' O ' HD23 ' A' ' 125' ' ' LEU . . . -100.06 -23.67 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.530000000000001 109.266 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.674 HG13 ' OE1' ' A' ' 137' ' ' GLN . 17.7 t -80.65 -24.65 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.349999999999994 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -90.08 -28.24 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 61.299999999999997 110.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.517 HG23 HD22 ' A' ' 125' ' ' LEU . 2.0 t -76.97 -36.74 56.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.32 110.433 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 121' ' ' ALA . 2.0 mm? -72.44 -38.17 68.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 70.430000000000007 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.3 m -75.17 -51.06 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 110.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 t -48.32 -37.27 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.340000000000003 109.979 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.531 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -97.4 -18.44 19.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 73.209999999999994 110.295 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.1 m-20 59.76 61.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 72.150000000000006 109.279 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.531 ' CG ' HH21 ' A' ' 128' ' ' ARG . 33.5 t0 -75.48 178.14 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 61.32 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -88.03 -8.42 55.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 65.230000000000004 109.621 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.3 OUTLIER -108.96 9.01 26.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -60.67 -67.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 62.399999999999999 109.287 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.87 -19.83 7.41 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 60.310000000000002 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.9 -31.04 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 73.340000000000003 110.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.7 tp -74.36 -37.64 63.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.674 ' OE1' HG13 ' A' ' 122' ' ' VAL . 44.8 mm-40 -63.17 -19.66 64.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 74.450000000000003 110.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.42 -2.99 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.049999999999997 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.644 ' CD ' HH21 ' A' ' 98' ' ' ARG . 5.8 tt0 -97.97 -46.21 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 63.100000000000001 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -69.41 -15.65 63.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 71.219999999999999 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 16.2 mtm180 -95.5 -61.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -49.79 -23.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 62.340000000000003 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.6 mmp_? -85.94 -79.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 110.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.88 -56.25 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 64.230000000000004 108.308 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.92 70.21 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.957 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.6 -170.68 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 75.540000000000006 107.984 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.0 62.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.957 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.4 tt -74.84 -28.03 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 52.020000000000003 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -62.33 -16.48 54.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 64.319999999999993 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 70.209999999999994 111.01 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.955 -0.858 . . . . 74.439999999999998 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.678 ' HD3' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.0 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 64.209999999999994 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 171.43 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.25 110.043 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.858 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER 175.99 -57.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 61.340000000000003 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -29.68 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 72.239999999999995 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -48.8 -47.78 41.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 62.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . . . -61.72 -40.0 93.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.420000000000002 109.323 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 64.5 110.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -63.84 -45.61 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ILE . . . . . 0.844 HG21 ' SG ' ' A' ' 109' ' ' CYS . 21.3 mt -68.24 -20.09 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 46' ' ' MET . 2.7 tp -75.33 -38.47 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.049999999999997 109.273 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' CE ' ' A' ' 50' ' ' LYS . . . -84.14 8.39 67.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 73.420000000000002 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.62 12.64 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 74.349999999999994 109.306 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.785 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.55 -77.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 61.229999999999997 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 177.42 137.56 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 62.439999999999998 111.019 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . 5.6 tp-100 -36.38 -64.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 62.509999999999998 110.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LEU . 3.3 t70 -62.1 -40.22 95.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 109.245 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.785 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -41.55 -31.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 61.43 109.279 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.92 -45.62 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.344 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.486 HD22 HD11 ' A' ' 51' ' ' LEU . 3.7 mm? -55.93 -53.46 56.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 54.43 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 1.3 t80 -50.9 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 73.519999999999996 111.018 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 87.3 mt -47.46 -37.42 11.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 55.530000000000001 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.37 -43.98 92.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.099999999999994 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.599 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 39.9 m80 -79.27 -7.0 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 72.049999999999997 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -87.36 -51.55 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 74.030000000000001 109.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.679 HD23 ' N ' ' A' ' 30' ' ' LEU . 2.2 mt -52.57 -21.3 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 44.439999999999998 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 mmtp -37.66 -33.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 109.284 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.8 m -114.08 91.78 24.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 22.420000000000002 110.396 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.86 36.3 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 64.230000000000004 110.959 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -99.08 166.07 13.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 65.409999999999997 110.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.75 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.479 1.778 . . . . 64.109999999999999 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.87 11.53 39.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.0 p -69.84 127.07 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.26 -1.015 . . . . 63.200000000000003 108.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -125.3 -0.57 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 70.329999999999998 110.335 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.59 -29.01 4.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 31.129999999999999 110.992 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.494 ' CG ' HD22 ' A' ' 30' ' ' LEU . 3.0 tt0 -78.82 -64.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 63.450000000000003 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.764 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.7 t0 -47.14 -42.51 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 65.239999999999995 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 69' ' ' VAL . 15.4 tp -62.47 -49.73 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.8 tp -59.2 -30.45 68.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 62.149999999999999 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.596 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.3 t-160 -65.27 -19.72 66.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 63.25 109.587 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -90.7 -20.72 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 62.119999999999997 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 99' ' ' LEU . 66.7 mtp -94.02 -18.99 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 43' ' ' LEU . 35.5 t -88.84 -45.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.099999999999994 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.622 ' HA ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -46.5 -35.14 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 70.340000000000003 109.285 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.2 mp -67.98 -40.84 83.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 72.420000000000002 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 1.8 mmmp? -51.75 -22.04 3.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.010000000000005 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -95.59 -50.87 4.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 65.129999999999995 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.27 30.35 1.92 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 73.409999999999997 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.17 59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 73.409999999999997 110.308 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -51.34 -21.35 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 74.530000000000001 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.04 -31.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 53.329999999999998 110.409 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -89.64 -49.97 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 61.25 110.348 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -40.81 -37.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -64.99 -50.27 66.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 75.450000000000003 110.292 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.96 -42.02 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.23 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 74.430000000000007 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 74' ' ' ALA . 5.1 mt -53.83 -37.43 63.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 60.420000000000002 109.355 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.92 -32.45 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -8.65 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 63.439999999999998 109.333 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.43 45.76 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 109.301 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -15.27 29.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 72.549999999999997 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.0 -21.97 27.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.339 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.71 104.8 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 54.420000000000002 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -60.94 -15.03 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.686 HG21 ' O ' ' A' ' 91' ' ' ASP . 0.9 OUTLIER -76.03 -36.9 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 61.450000000000003 109.279 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.582 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -63.09 -70.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.119999999999997 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -48.72 -22.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.140000000000001 110.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.801 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -86.76 -33.26 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 109.251 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.902 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 9.9 t -78.67 -6.47 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.282 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.107 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -84.9 -36.35 21.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 54.030000000000001 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 7.6 ptt-85 -98.7 -3.63 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 75.200000000000003 110.244 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.554 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 5.2 tp-100 -93.04 -45.53 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 53.340000000000003 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.902 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.8 m-90 -106.78 -62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.230000000000004 108.004 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -44.58 -45.1 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.109999999999999 109.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 96.5 19.25 28.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 43.43 110.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 74' ' ' ALA . 88.1 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 65.230000000000004 109.304 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.501 ' HG2' HG21 ' A' ' 92' ' ' VAL . 20.6 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.311 -0.255 . . . . 74.129999999999995 110.311 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 170.71 19.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 62.229999999999997 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.57 11.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 64.219999999999999 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.686 ' O ' HG21 ' A' ' 69' ' ' VAL . 3.8 m-20 -118.64 27.94 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.239999999999995 109.254 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.778 HG22 HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.94 -40.88 84.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 73.019999999999996 109.291 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 1.4 m -95.16 -24.51 16.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 73.019999999999996 110.025 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 1.103 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.9 t90 -74.62 -70.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 108.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -39.76 -55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -56.12 -50.66 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 74.439999999999998 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 93' ' ' SER . . . -51.55 -33.1 30.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 31.4 mtt180 -81.56 -23.65 37.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 72.120000000000005 110.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 46' ' ' MET . 1.3 tt -73.15 -43.62 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 6.9 m-85 -69.57 -14.94 63.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 73.150000000000006 110.966 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.82 -22.8 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 63.229999999999997 109.592 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -95.15 -32.95 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.099999999999994 109.298 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.713 HD13 ' SG ' ' A' ' 109' ' ' CYS . 12.5 mt -61.77 -28.84 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 73.409999999999997 109.314 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.11 -9.96 58.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 62.009999999999998 109.254 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -99.78 -20.68 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.420000000000002 110.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -89.05 -17.22 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 110.332 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp 76.02 30.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 62.32 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.54 -37.08 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.540000000000006 109.26 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' CYS . . . . . 0.844 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -136.01 150.88 72.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 65.299999999999997 108.302 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 51.420000000000002 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.04 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.400000000000006 109.286 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.4 m -53.75 -47.12 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.004 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' A' ' 6' ' ' PRO . 2.0 mm? -62.42 -41.84 99.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.0 ttp180 -56.31 -33.81 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.510000000000005 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.519 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.8 OUTLIER -81.78 -66.03 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 61.109999999999999 109.268 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 112' ' ' SER . 38.6 t -40.2 -39.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.129999999999995 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -64.61 -57.86 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 60.299999999999997 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.4 m-85 -49.41 -46.57 47.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.409999999999997 111.043 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 122' ' ' VAL . 81.7 mt-30 -49.57 -66.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 71.299999999999997 110.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.71 -24.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -78.44 -46.43 19.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.409999999999997 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.5 m -61.52 -24.44 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 51.310000000000002 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 125' ' ' LEU . 30.6 mmt180 -75.89 -70.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 70.349999999999994 110.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -43.43 -27.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.566 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 6.2 mt -86.07 -46.54 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 61.119999999999997 109.267 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.5 t -55.19 -51.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 110.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -54.01 42.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.439 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.01 4.75 16.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 74.310000000000002 110.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 m-20 40.25 36.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 73.129999999999995 109.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.439 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 12.5 t0 -40.16 157.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.89 3.3 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 61.439999999999998 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.87 -7.79 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.540000000000006 110.278 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -45.19 -69.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.43 -34.25 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.71 -30.6 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 71.319999999999993 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 1.103 HD13 ' CE2' ' A' ' 94' ' ' TRP . 39.9 tp -74.7 -40.39 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.450000000000003 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.812 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 45.9 mm-40 -63.01 -12.11 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 74.120000000000005 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -105.75 -21.25 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.519999999999996 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.05 -61.2 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 63.530000000000001 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -51.19 -21.78 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.219999999999999 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 35.0 mtm180 -85.35 -59.24 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.430000000000007 110.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.658 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.9 OUTLIER -50.01 -22.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.658 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.7 mmp_? -83.66 -79.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -65.0 -55.24 20.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.219999999999999 108.254 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.57 62.5 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.892 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.03 -169.43 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 73.230000000000004 108.022 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.49 59.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 71.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.892 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.7 tt -61.99 -34.46 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.812 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.19 -21.98 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.019999999999996 109.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 110.956 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 63.030000000000001 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.94 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 61.240000000000002 111.034 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -170.14 179.51 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 43.149999999999999 109.967 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.596 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.78 -52.42 17.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 73.430000000000007 109.285 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 -32.94 4.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 74.239999999999995 111.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' SER . . . . . 0.422 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 73.8 m -44.15 -48.44 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 70.049999999999997 110.001 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.41 -41.14 88.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.510000000000005 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -63.54 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.299999999999997 110.956 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.71 -50.0 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.450000000000003 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.11 -18.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.319999999999993 109.329 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 46' ' ' MET . 1.9 tp -75.78 -33.59 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 72.540000000000006 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.71 8.44 75.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 72.519999999999996 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.5 17.15 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 60.130000000000003 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.1 -75.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 74.230000000000004 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 174.29 139.36 2.95 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 111.012 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' GLY . 12.7 tp60 -36.69 -64.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 72.400000000000006 110.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -58.7 -41.33 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.040000000000006 109.298 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptt -44.19 -33.28 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.19 -59.72 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.019999999999996 109.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' CD2' ' HZ3' ' A' ' 27' ' ' LYS . 48.5 mt -46.54 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 63.340000000000003 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 29' ' ' LYS . 5.8 t80 -35.91 -67.44 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 62.450000000000003 110.999 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' LYS . 15.3 mt -40.76 -56.41 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 71.5 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 51' ' ' LEU . 3.0 ttpt -46.44 -64.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 54.1 m-70 -63.51 -9.54 13.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 109.623 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -91.18 -26.68 18.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 71.540000000000006 109.32 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LEU . . . . . 0.661 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.3 mt -90.42 -20.9 22.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 51.409999999999997 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 18.4 mmtt -36.43 -33.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -105.64 107.67 59.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 110.35 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 135.79 19.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 64.530000000000001 111.022 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.0 165.16 33.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 54.229999999999997 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 63.450000000000003 110.986 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.44 12.77 37.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 72.030000000000001 111.029 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.92 115.2 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 65.530000000000001 108.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -119.15 -9.65 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.219999999999999 110.312 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.87 -39.5 1.85 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.473 1.108 . . . . 44.439999999999998 110.963 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.641 ' CG ' HD22 ' A' ' 30' ' ' LEU . 9.4 tt0 -61.68 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 74.349999999999994 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASP . . . . . 0.858 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.2 t0 -48.13 -40.29 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.030000000000001 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 73' ' ' VAL . 18.7 tp -60.78 -52.27 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.977 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.4 tp -58.5 -27.96 64.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.209999999999994 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' HIS . . . . . 0.624 ' O ' HD23 ' A' ' 48' ' ' LEU . 5.5 t-160 -62.09 -24.13 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.130000000000003 109.581 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.27 -18.3 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 72.5 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' MET . . . . . 0.702 ' O ' HD21 ' A' ' 15' ' ' LEU . 26.6 mtp -98.71 -12.77 20.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 43' ' ' LEU . 85.0 t -86.7 -57.84 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 63.350000000000001 109.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.7 mm? -41.27 -43.96 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 73.319999999999993 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 4.9 mt -53.27 -48.56 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.439999999999998 109.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.643 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 1.7 mmmp? -48.1 -24.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 52.030000000000001 109.334 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD12 HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -96.46 -32.29 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 74.099999999999994 109.339 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 102.62 8.27 43.44 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.164 . . . . 71.239999999999995 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 51' ' ' LEU . 1.5 pt20 -111.31 70.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 74.340000000000003 110.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.3 pt-20 -66.33 -18.55 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.299999999999997 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.25 -34.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 74.530000000000001 110.394 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 -43.47 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 110.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -46.17 -36.67 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 62.130000000000003 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -66.4 -51.39 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 72.5 110.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.58 -52.26 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -48.91 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 110.056 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 18.0 mt -56.31 -40.23 74.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 71.209999999999994 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.72 -14.12 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 65.239999999999995 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.8 10.66 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 65.540000000000006 109.32 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.858 HD21 ' CB ' ' A' ' 41' ' ' ASP . 13.4 mt -122.94 52.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -55.55 -19.74 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.400000000000006 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -54.88 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 43.140000000000001 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . 0.76 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -68.69 128.92 38.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.200000000000003 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.37 -13.14 35.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 63.219999999999999 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.8 HG22 ' HG2' ' A' ' 89' ' ' PRO . 33.3 t -76.03 -13.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.17 -54.0 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 55.409999999999997 109.294 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.94 -14.06 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 110.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -99.2 -30.84 12.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 109.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.818 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 15.1 t -82.35 -6.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 73.25 109.274 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 1.026 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.03 -36.07 19.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 75.400000000000006 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.75 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.3 ptt-85 -98.63 -6.4 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.019999999999996 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.2 tp-100 -89.99 -44.59 9.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 110.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.818 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.0 m-90 -107.58 -58.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 62.340000000000003 108.024 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -55.79 -45.36 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 41.009999999999998 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 78.34 40.95 18.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 74' ' ' ALA . 16.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 73.109999999999999 109.301 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.306 -0.257 . . . . 71.310000000000002 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PRO . . . . . 0.8 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.01 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 54.32 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.46 19.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 63.509999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.771 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -119.25 24.53 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 71.5 109.31 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 92' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.19 -40.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 41.32 109.291 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' VAL . 3.2 m -106.45 -40.83 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 109.994 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CZ3' HD21 ' A' ' 125' ' ' LEU . 3.3 t90 -43.06 -54.73 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 73.049999999999997 108.017 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 69' ' ' VAL . . . -52.6 -41.04 63.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' SER . 21.6 t -62.96 -35.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 70.450000000000003 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' ALA . . . . . 0.531 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -73.1 -29.84 63.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.340000000000003 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 15.9 mtt180 -86.4 -18.21 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 73.299999999999997 110.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -83.95 -46.44 12.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 65.439999999999998 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.979 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -71.02 -7.06 43.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.329999999999998 110.987 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -79.51 -17.06 54.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.581 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 40' ' ' GLN . 1.5 mt -97.11 -36.61 10.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 70.439999999999998 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 108' ' ' LEU . 34.5 mt -62.16 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.450000000000003 109.284 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.23 -10.71 60.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.119999999999997 109.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.58 -19.65 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.339 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 106' ' ' GLU . 0.7 OUTLIER -90.23 -17.22 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 71.530000000000001 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 77.37 54.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 71.140000000000001 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 103' ' ' LEU . 88.7 mt -117.87 -39.57 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.099999999999994 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.76 155.8 80.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.040000000000006 108.338 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.12 42.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 73.349999999999994 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -14.75 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.32 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.1 m -60.79 -46.04 92.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.991 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.92 -43.46 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.469 ' CD ' ' SG ' ' A' ' 144' ' ' CYS . 3.7 ttp180 -50.67 -34.91 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.230000000000004 110.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.463 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 4.2 m-20 -74.33 -68.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HD2' ' A' ' 6' ' ' PRO . 62.6 t -40.05 -35.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.73 -57.32 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' TYR . . . . . 0.708 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 5.7 m-85 -51.37 -48.15 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.974 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 122' ' ' VAL . 78.7 mt-30 -45.31 -63.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 63.340000000000003 110.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -45.99 -25.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 73.200000000000003 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ALA . . . . . 0.83 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -76.72 -46.77 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 74.530000000000001 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' VAL . . . . . 0.88 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -60.25 -24.39 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' LEU . 25.0 mmt180 -78.04 -69.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 74.219999999999999 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -39.92 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 62.240000000000002 110.389 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LEU . . . . . 0.671 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -87.59 -58.91 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.318 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.2 t -41.22 -43.28 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 71.299999999999997 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 t -57.64 -57.51 12.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 73.099999999999994 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.95 5.88 14.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 75.040000000000006 110.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.1 m-20 43.09 36.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.140000000000001 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ASP . . . . . 0.406 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 11.7 t0 -41.47 153.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -76.75 -3.67 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 109.593 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.53 -1.25 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.400000000000006 110.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.65 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -52.83 -69.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . 0.65 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.62 -34.48 10.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 41.109999999999999 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.55 -35.3 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 73.420000000000002 110.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' LEU . . . . . 0.88 HD22 HG12 ' A' ' 122' ' ' VAL . 5.4 tt -71.47 -40.04 70.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 52.130000000000003 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 137' ' ' GLN . . . . . 0.809 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 48.2 mm-40 -63.14 -11.11 17.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 64.329999999999998 110.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 138' ' ' ASP . . . . . 0.463 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 31.0 t0 -107.9 -7.43 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 70.430000000000007 109.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 141' ' ' ARG . 26.5 tt0 -100.51 -51.85 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 70.120000000000005 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 140' ' ' ALA . . . . . 0.872 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -47.29 -24.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.340000000000003 109.253 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.4 ptp180 -94.86 -44.52 7.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 71.099999999999994 110.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 142' ' ' ASN . . . . . 0.518 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 25.8 t-20 -65.36 -9.69 26.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' ARG . . . . . 0.503 ' CB ' ' OH ' ' A' ' 118' ' ' TYR . 15.2 mmp_? -103.92 -41.12 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 63.109999999999999 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -103.27 -56.48 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 72.540000000000006 108.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 145' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 107.58 70.27 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.41 1.069 . . . . 73.140000000000001 110.986 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 146' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.5 OUTLIER -156.67 -172.69 4.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 75.019999999999996 108.006 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.29 63.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.310000000000002 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' ILE . . . . . 0.872 HG21 ' HB3' ' A' ' 140' ' ' ALA . 5.3 tt -64.41 -23.49 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 71.530000000000001 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -73.78 -4.11 32.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 62.399999999999999 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 110.98 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.6 -0.518 . . . . 75.140000000000001 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -93.45 67.16 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.319999999999993 111.028 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.59 -55.7 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.030000000000001 109.315 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -171.79 123.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 73.209999999999994 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -126.41 149.29 49.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 73.120000000000005 110.383 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.3 -93.82 1.99 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 64.25 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.1 Cg_endo -74.95 -167.38 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 62.450000000000003 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.52 168.49 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.43 109.999 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -63.21 -54.79 42.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 73.140000000000001 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.11 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 60.229999999999997 111.037 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -55.53 -42.52 74.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.340000000000003 110.007 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.955 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.61 -24.35 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 63.240000000000002 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.84 -35.91 64.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.040000000000006 111.015 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 64.010000000000005 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.564 HD13 ' SG ' ' A' ' 109' ' ' CYS . 40.6 mt -71.48 -21.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.129999999999995 109.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.93 HD22 HG22 ' A' ' 47' ' ' VAL . 3.0 mt -71.07 -59.43 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 52.420000000000002 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.31 -6.43 53.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 61.119999999999997 110.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.34 6.38 44.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 54.340000000000003 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -90.76 -64.65 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 60.219999999999999 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.73 136.0 1.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 65.120000000000005 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 31.0 tp60 -35.88 -67.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 72.430000000000007 110.248 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -55.97 -38.0 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.009999999999998 109.327 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.5 tptt -48.53 -31.15 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 71.540000000000006 109.349 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -72.59 -50.0 28.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 54.409999999999997 109.299 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.0 mt -54.62 -46.43 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 64.340000000000003 109.268 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -55.64 -75.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.329999999999998 111.027 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 29.2 mt -40.79 -56.14 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.5 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' ' 51' ' ' LEU . 2.3 ttmt -43.6 -63.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.230000000000004 109.273 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 38.7 m80 -52.58 -27.24 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.310000000000002 109.59 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.9 tttp -79.49 -28.79 41.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.230000000000004 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 44' ' ' HIS . 4.1 mt -78.34 -25.46 46.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 60.409999999999997 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.4 mmtt -39.85 -33.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 63.109999999999999 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 32' ' ' THR . 1.1 m -113.66 94.72 33.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 75.209999999999994 110.366 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.89 42.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 62.210000000000001 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -97.65 158.73 32.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.120000000000005 110.282 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 75.430000000000007 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.87 24.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 73.510000000000005 111.021 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.48 127.12 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.998 . . . . 73.230000000000004 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -127.26 0.44 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 61.149999999999999 110.293 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.64 -28.79 6.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 75.340000000000003 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.658 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -79.2 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 75.219999999999999 110.338 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.891 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.3 t0 -44.66 -39.71 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 71.140000000000001 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 73' ' ' VAL . 26.9 tp -66.23 -47.69 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.129999999999995 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.952 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.3 tp -61.06 -28.7 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 64.329999999999998 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.827 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.1 t-160 -57.79 -46.37 84.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 54.030000000000001 109.593 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 57' ' ' ALA . . . -71.58 -32.97 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 71.200000000000003 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 81.2 mtp -74.89 -12.93 60.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 64.420000000000002 110.993 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 43' ' ' LEU . 75.2 t -95.25 -30.13 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 74.310000000000002 109.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 53' ' ' GLN . 1.2 mm? -56.52 -51.37 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 73.340000000000003 109.313 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 45' ' ' ALA . 1.4 mm? -50.38 -52.36 37.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.310000000000002 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 7.1 mmmt -40.29 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 63.420000000000002 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.53 -44.06 9.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 73.510000000000005 109.264 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.52 13.87 7.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 41.200000000000003 111.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.515 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.0 OUTLIER -121.91 84.02 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 64.140000000000001 110.318 179.997 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.1 pt-20 -76.47 -19.92 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 50.520000000000003 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.87 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 110.389 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -90.07 -45.77 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 64.019999999999996 110.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 65.129999999999995 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.01 -44.84 91.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 75.450000000000003 110.343 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -64.23 -56.14 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 63.210000000000001 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -50.5 -53.02 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.150000000000006 110.001 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 70' ' ' ALA . 6.1 mt -54.21 -48.65 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 34.450000000000003 109.299 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -63.08 -12.75 28.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 74.109999999999999 110.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.56 13.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 73.120000000000005 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.891 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.6 mt -129.49 47.74 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 71.409999999999997 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -47.65 -34.31 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.019999999999996 109.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.58 -57.22 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 34.340000000000003 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.848 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -69.42 122.28 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 74.340000000000003 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.4 -12.87 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 61.219999999999999 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.823 HG11 ' HB3' ' A' ' 95' ' ' ALA . 51.3 t -76.51 -17.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 52.130000000000003 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -82.51 -41.72 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 61.109999999999999 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -68.24 -18.81 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.120000000000005 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.921 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -93.72 -23.39 18.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.5 109.336 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.849 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -82.19 -6.3 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.510000000000005 109.253 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.072 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.26 -36.22 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 61.539999999999999 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.921 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt-85 -98.8 -5.52 31.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.540000000000006 110.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.9 tp-100 -89.09 -45.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.409999999999997 110.365 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.849 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 25.1 m-90 -109.51 -61.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.219999999999999 108.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.072 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.3 -24.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.200000000000003 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 74.32 19.21 79.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 75.409999999999997 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.6 t -42.41 165.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 64.349999999999994 109.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 6.5 t0 -80.83 45.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 61.439999999999998 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ASP . 94.0 p 33.59 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.299999999999997 109.971 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASP . 9.8 t -40.24 -27.62 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.099999999999994 110.372 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 82' ' ' SER . 3.2 mt-10 -84.51 -162.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 72.510000000000005 110.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.49 158.15 34.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 54.549999999999997 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 79.95 2.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 65.109999999999999 111.003 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.94 127.98 7.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.099999999999994 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.24 144.99 92.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 75.140000000000001 110.32 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.98 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 74.230000000000004 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.1 13.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 72.439999999999998 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.582 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 53.0 m-20 -101.08 26.21 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 71.310000000000002 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.95 -43.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 53.100000000000001 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.4 m -106.23 -35.3 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 55.030000000000001 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.051 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.3 t90 -46.32 -53.14 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.99 -1.115 . . . . 74.439999999999998 107.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.823 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -56.14 -33.31 65.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 44.539999999999999 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' SER . 16.5 t -72.34 -22.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.230000000000004 109.297 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -86.38 -34.13 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 73.340000000000003 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 16.3 mtt180 -80.06 -31.77 39.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 75.239999999999995 110.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.877 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -66.56 -44.8 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.019999999999996 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.955 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m-85 -71.38 -23.12 61.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.417 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 4.4 t60 -60.13 -23.61 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.549999999999997 109.579 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -96.87 -26.66 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 65.040000000000006 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.886 HD23 ' OE2' ' A' ' 106' ' ' GLU . 90.8 mt -67.33 -28.94 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.040000000000006 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.894 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.13 -3.2 34.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 55.149999999999999 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -99.76 -20.14 16.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.099999999999994 110.296 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.886 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.19 7.49 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 63.039999999999999 110.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 58.47 50.94 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 75.010000000000005 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 14' ' ' ILE . 19.0 mt -109.17 -30.69 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.329999999999998 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.564 ' SG ' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -152.59 145.49 17.41 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 74.530000000000001 108.318 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.98 150.36 38.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 65.430000000000007 111.039 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.08 -25.59 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.25 109.263 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 116' ' ' VAL . 43.7 m -45.63 -35.15 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.420000000000002 110.014 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 110' ' ' PRO . 2.9 mm? -77.53 -51.57 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 75.019999999999996 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.894 HH21 ' CB ' ' A' ' 104' ' ' ALA . 15.0 ttm180 -50.42 -24.81 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 73.310000000000002 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.524 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.71 -69.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.530000000000001 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 112' ' ' SER . 91.6 t -39.84 -38.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 43.009999999999998 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.49 -56.1 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.049999999999997 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -49.81 -38.59 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.219999999999999 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.409 ' HA ' HD11 ' A' ' 148' ' ' ILE . 82.3 mt-30 -57.68 -57.19 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 63.200000000000003 110.352 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -53.43 -21.74 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.049999999999997 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.83 -23.7 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 71.510000000000005 109.297 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.699 HG13 ' OE1' ' A' ' 137' ' ' GLN . 3.4 t -82.56 -22.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 75.049999999999997 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -31.82 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 74.439999999999998 110.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.9 t -71.19 -40.51 71.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 71.329999999999998 110.407 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 90.1 mt -75.39 -36.79 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.319999999999993 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 133' ' ' LEU . 5.8 m -71.56 -37.63 71.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.340000000000003 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -64.8 -36.3 83.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 65.409999999999997 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -103.74 5.38 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.120000000000005 110.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 17.1 t0 40.46 49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.420000000000002 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -53.93 178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 61.130000000000003 109.311 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 7.8 p-80 -90.33 -5.65 55.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 64.209999999999994 109.63 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.69 5.05 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.510000000000005 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -51.77 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 62.219999999999999 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.68 -34.32 14.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 65.540000000000006 110.966 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -34.76 78.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 70.129999999999995 110.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 94' ' ' TRP . 49.3 tp -75.75 -35.92 60.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.140000000000001 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.699 ' OE1' HG13 ' A' ' 122' ' ' VAL . 38.9 mm-40 -66.47 -16.29 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.010000000000005 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -106.48 -18.57 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 63.549999999999997 109.307 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.74 -59.65 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.230000000000004 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -52.22 -20.97 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 53.409999999999997 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLY . 35.4 mtm180 -85.68 -59.89 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.019999999999996 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.67 -22.78 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.409999999999997 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.61 -78.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 110.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.36 -55.68 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 70.510000000000005 108.339 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.55 64.37 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 72.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.781 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.46 -169.06 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.997 -1.112 . . . . 61.43 107.997 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -117.51 60.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 63.130000000000003 109.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.781 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.7 tt -63.55 -37.38 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 109.259 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -43.01 -31.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.439999999999998 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.7 14.2 23.96 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 44.109999999999999 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 155' ' ' ILE . 3.2 m-20 -70.98 160.62 81.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 35.030000000000001 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 74.409999999999997 111.021 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' ' 155' ' ' ILE . . . 92.8 -43.16 2.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 72.109999999999999 110.981 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.61 76.42 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 75.049999999999997 109.993 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -131.79 131.79 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.239999999999995 109.308 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.219999999999999 110.301 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.8 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.63 -0.507 . . . . 74.140000000000001 109.63 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 mmt 61.18 50.15 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.239999999999995 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.88 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 63.130000000000003 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.92 172.94 8.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 73.030000000000001 108.264 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -120.57 12.67 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.71 -91.06 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 63.020000000000003 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.793 ' HB3' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -75.0 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 74.299999999999997 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.51 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 6.8 p -179.9 157.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 55.200000000000003 109.999 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.861 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -56.82 -49.44 93.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 44.32 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -21.95 15.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 52.399999999999999 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.51 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 7.0 t -63.73 -39.96 95.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 70.129999999999995 110.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.081 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -70.35 -26.87 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 43.130000000000003 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -75.13 -34.3 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 62.119999999999997 111.026 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.53 -39.83 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 74.200000000000003 109.343 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.705 HG21 ' SG ' ' A' ' 109' ' ' CYS . 7.7 mt -67.64 -21.17 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.230000000000004 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.973 HD11 HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -68.59 -58.78 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.540000000000006 109.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -7.18 52.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 74.310000000000002 111.038 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.64 14.65 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 71.219999999999999 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.857 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.31 -76.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 52.130000000000003 109.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.3 136.9 2.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 40.399999999999999 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 18.7 tp60 -37.56 -58.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 64.549999999999997 110.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -37.87 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 63.450000000000003 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.857 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 7.0 tptt -47.49 -31.45 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 75.239999999999995 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.489 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.1 -63.34 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 72.349999999999994 109.319 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 78.3 mt -41.55 -50.31 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 63.439999999999998 109.357 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.51 -53.32 59.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 55.350000000000001 111.015 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 108' ' ' LEU . 19.1 mt -67.51 -10.91 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 74.129999999999995 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.2 OUTLIER -86.63 -31.53 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 74.310000000000002 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.541 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 34.8 m80 -103.2 -0.87 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 71.439999999999998 109.616 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -20.08 20.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 40' ' ' GLN . 3.3 mt -105.9 13.35 29.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 52.030000000000001 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 16.3 mmtt -67.54 -24.14 65.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 53.049999999999997 109.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -114.02 91.56 23.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.420000000000002 110.423 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.23 40.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 65.349999999999994 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.536 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.74 168.43 9.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.150000000000006 110.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.52 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 53.009999999999998 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.14 7.55 32.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 53.530000000000001 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 14.2 p -67.71 126.36 29.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 61.5 108.322 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -127.13 0.23 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.230000000000004 110.283 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -112.09 -28.37 3.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 72.040000000000006 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.825 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.48 -63.66 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 35.420000000000002 110.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.9 t0 -50.73 -42.44 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 109.281 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.592 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.19 -56.82 17.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 63.340000000000003 109.267 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 103' ' ' LEU . 1.8 tt -55.46 -30.46 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.5 t-160 -54.47 -31.47 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 71.200000000000003 109.612 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -86.53 -22.57 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 30.109999999999999 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.604 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 65.7 mtp -84.73 -9.9 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 64.299999999999997 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 43' ' ' LEU . 91.5 t -95.46 -55.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.400000000000006 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.4 mm? -39.96 -50.48 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.310000000000002 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.4 mp -49.51 -53.23 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 64.099999999999994 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 6.9 mmmt -40.4 -31.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mt -88.6 -44.24 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 54.409999999999997 109.261 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 115.42 16.02 7.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 71.109999999999999 110.999 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.427 HE21 ' HB2' ' A' ' 53' ' ' GLN . 0.0 OUTLIER -121.09 70.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.519999999999996 110.367 179.941 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.02 -19.06 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 55.25 110.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.45 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 63.539999999999999 110.388 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -45.26 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.329999999999998 110.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -45.17 -40.21 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 73.239999999999995 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.57 -48.97 78.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 63.439999999999998 110.24 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -54.25 -60.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 72.430000000000007 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -39.22 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.099999999999994 110.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.2 mt -62.13 -38.18 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 73.109999999999999 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.03 -13.19 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 63.409999999999997 110.279 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 8.17 19.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.120000000000005 109.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.9 mt -127.12 53.76 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 75.129999999999995 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -31.14 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 61.219999999999999 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -60.67 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 55.200000000000003 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.759 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.7 m-20 -53.95 113.08 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.219999999999999 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -81.9 -0.55 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 75.120000000000005 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.6 t -95.39 -14.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.549999999999997 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.867 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -76.34 -22.0 55.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 55.399999999999999 109.267 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.489 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -88.08 -34.5 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 63.219999999999999 110.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -80.38 -39.3 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 74.209999999999994 109.303 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 69' ' ' VAL . 45.9 t -65.81 -10.98 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 75.129999999999995 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -80.98 -62.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 64.239999999999995 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.713 ' CA ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.29 -7.43 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.349999999999994 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.8 tp-100 -88.58 -40.63 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 62.32 110.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.781 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.0 m-90 -114.81 -59.09 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 108.048 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.58 -37.1 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 72.409999999999997 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.88 29.13 55.32 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 72.450000000000003 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.785 HG23 ' H ' ' A' ' 82' ' ' SER . 23.5 m -55.35 -167.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 75.120000000000005 109.304 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.7 t70 -95.18 23.69 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 62.340000000000003 109.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.785 ' H ' HG23 ' A' ' 80' ' ' VAL . 89.1 p 37.52 48.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 44.420000000000002 109.96 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 p -41.14 -27.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 72.349999999999994 110.372 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' SER . 11.8 pt-20 -113.59 -171.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 74.329999999999998 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -73.83 138.44 76.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 61.549999999999997 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -14.16 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 65.420000000000002 111.015 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -38.96 154.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 61.210000000000001 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER -79.71 138.81 54.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 74.340000000000003 110.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.533 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.0 Cg_endo -75.08 173.92 13.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 74.099999999999994 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.81 21.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 71.230000000000004 111.05 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -110.28 27.07 9.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.150000000000006 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.776 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.78 -74.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 43.200000000000003 109.297 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.584 ' H ' HG13 ' A' ' 92' ' ' VAL . 3.5 m -72.96 -46.88 49.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.329999999999998 110.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.116 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.7 t90 -41.22 -66.2 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.349999999999994 107.968 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.29 -55.13 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.120000000000005 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 8' ' ' LEU . 29.8 t -47.97 -41.69 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 72.450000000000003 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -61.53 -47.06 87.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 70.120000000000005 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 91' ' ' ASP . 24.1 mtt180 -68.06 -24.16 65.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 72.120000000000005 110.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.695 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.49 -50.05 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 44.329999999999998 109.325 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.081 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.8 m-85 -67.95 -22.03 65.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 110.987 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.74 -23.05 62.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.120000000000005 109.6 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt -97.15 -31.07 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.019999999999996 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 43' ' ' LEU . 87.2 mt -64.42 -14.97 59.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 74.310000000000002 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.6 -12.33 57.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 71.109999999999999 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.68 -20.35 16.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.409999999999997 110.319 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.56 -18.75 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.319999999999993 110.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 79.19 26.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 75.420000000000002 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 26' ' ' LEU . 34.9 mt -96.13 -37.66 10.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 53.340000000000003 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.705 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.2 m -139.16 140.45 26.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 62.509999999999998 108.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.75 42.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 61.009999999999998 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.699 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -67.73 -10.66 54.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 73.420000000000002 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.2 m -55.15 -29.88 58.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 55.32 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 6' ' ' PRO . 6.7 mp -86.11 -45.2 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.319999999999993 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.699 HH21 ' HB2' ' A' ' 111' ' ' ALA . 4.3 ttp180 -40.04 -29.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 73.430000000000007 110.254 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.548 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 14.5 m-20 -79.71 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 t -40.15 -44.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 71.310000000000002 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -60.31 -61.46 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.109999999999999 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.546 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.7 m-85 -45.51 -41.25 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 74.310000000000002 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 122' ' ' VAL . 76.5 mt-30 -55.95 -63.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 50.530000000000001 110.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.42 -28.32 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.549999999999997 110.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.24 -28.15 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 34.350000000000001 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.706 HG22 HE22 ' A' ' 137' ' ' GLN . 19.3 t -76.93 -8.55 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 74.530000000000001 109.273 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 126' ' ' SER . 37.1 mmt180 -89.8 -71.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.399999999999999 110.237 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.684 HG23 ' CD2' ' A' ' 125' ' ' LEU . 11.7 t -35.74 -39.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 71.420000000000002 110.405 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.684 ' CD2' HG23 ' A' ' 124' ' ' THR . 0.6 OUTLIER -66.73 -56.2 11.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 72.150000000000006 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ARG . 11.2 t -52.89 -47.95 67.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.540000000000006 110.012 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.8 t -52.37 -57.22 10.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 70.450000000000003 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.497 ' CZ ' ' OD2' ' A' ' 130' ' ' ASP . 12.6 ptt180 -79.91 3.68 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 70.510000000000005 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 54.1 t0 38.42 46.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 63.100000000000001 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.497 ' OD2' ' CZ ' ' A' ' 128' ' ' ARG . 1.6 t0 -58.29 175.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.510000000000005 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -92.74 -5.98 50.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 71.400000000000006 109.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -103.61 2.49 33.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.409999999999997 110.305 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.652 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -58.0 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 60.439999999999998 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.652 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.89 -28.9 18.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 63.25 111.056 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.55 -34.28 73.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 74.040000000000006 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 94' ' ' TRP . 59.3 tp -72.86 -38.75 66.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 61.119999999999997 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.706 HE22 HG22 ' A' ' 122' ' ' VAL . 50.0 mm-40 -61.39 -17.8 55.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 52.049999999999997 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -106.46 -2.68 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 54.310000000000002 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 4.8 tt0 -98.62 -45.81 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.340000000000003 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.42 -14.87 63.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.019999999999996 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.0 mtm180 -95.83 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 74.310000000000002 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -50.59 -22.4 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 65.230000000000004 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.5 mmp_? -85.81 -79.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 73.340000000000003 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.2 -55.74 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.329999999999998 108.309 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.52 68.28 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 53.399999999999999 111.045 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -171.95 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.104 . . . . 74.230000000000004 108.018 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.44 61.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 75.120000000000005 109.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.5 tt -72.51 -34.85 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.120000000000005 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -47.28 -26.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.120000000000005 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 118.77 -11.15 12.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 71.120000000000005 111.0 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.15 147.06 7.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 75.349999999999994 109.274 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -10.41 21.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 60.219999999999999 110.991 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.31 34.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 73.140000000000001 110.954 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m 62.27 45.47 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 71.439999999999998 109.984 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 7.0 mt -54.44 144.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 61.109999999999999 109.303 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 110.283 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.602 -0.518 . . . . 73.230000000000004 109.602 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt -89.0 157.38 18.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 60.140000000000001 110.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.25 -30.98 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 64.519999999999996 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.75 139.46 37.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 63.509999999999998 108.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -106.35 13.04 29.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.040000000000006 110.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -87.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.143 . . . . 64.439999999999998 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.807 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 73.019999999999996 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 177.54 147.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.310000000000002 109.975 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.708 HD13 HG22 ' A' ' 96' ' ' VAL . 52.2 tp -55.45 -45.17 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 72.409999999999997 109.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -22.28 15.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 61.350000000000001 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -63.04 -40.79 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 71.340000000000003 109.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.31 -26.77 66.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 71.219999999999999 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.58 -38.14 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 111.033 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.51 -36.99 71.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 54.219999999999999 109.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' SG ' ' A' ' 109' ' ' CYS . 22.1 mt -68.55 -25.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 63.009999999999998 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -62.84 -56.77 14.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 61.149999999999999 109.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.69 44.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 73.409999999999997 111.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.12 15.6 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 60.43 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -98.17 -73.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 44.240000000000002 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 174.49 136.7 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 64.310000000000002 110.976 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 7.5 tp-100 -40.62 -52.36 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 74.140000000000001 110.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.03 -31.89 66.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 109.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptm -53.58 -27.98 29.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.400000000000006 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -78.91 -59.39 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.420000000000002 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 51' ' ' LEU . 2.6 mm? -47.06 -57.84 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 73.329999999999998 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -47.99 -71.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 71.150000000000006 110.98 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 90.6 mt -38.58 -50.17 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.25 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HG2' ' NE2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -52.55 -53.06 51.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 54.020000000000003 109.285 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.433 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.8 m80 -59.55 -16.01 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.239999999999995 109.59 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -85.62 -49.68 7.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.200000000000003 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.46 -13.59 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 52.240000000000002 109.291 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 30.6 mmtt -39.28 -41.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 51.520000000000003 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -101.22 108.76 56.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 55.329999999999998 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.57 18.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.551 1.816 . . . . 54.399999999999999 111.02 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -86.95 164.1 37.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 70.25 110.274 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 54.409999999999997 110.974 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 22.11 18.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 64.510000000000005 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -79.74 118.75 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.305 -0.998 . . . . 50.509999999999998 108.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -120.93 -5.45 9.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 75.5 110.259 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.77 -34.32 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 43.229999999999997 110.998 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.622 ' HG2' HD22 ' A' ' 30' ' ' LEU . 4.0 tt0 -69.11 -61.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 74.540000000000006 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.805 ' CB ' HD21 ' A' ' 64' ' ' LEU . 15.8 t0 -56.11 -42.52 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 63.399999999999999 109.325 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.932 HD21 HG21 ' A' ' 73' ' ' VAL . 2.1 tt -58.54 -55.06 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.319999999999993 109.29 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 99' ' ' LEU . 5.4 tp -58.08 -27.0 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.329999999999998 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.7 t-160 -57.46 -40.5 78.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.040000000000006 109.631 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -76.52 -33.82 58.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 72.219999999999999 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.601 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 61.7 mtp -75.39 -13.99 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 75.230000000000004 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 15' ' ' LEU . 70.4 t -95.31 -49.8 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 70.120000000000005 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -40.35 -51.86 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.409999999999997 109.275 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.3 mp -50.33 -53.5 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 63.420000000000002 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -41.67 -29.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.209999999999994 109.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 24' ' ' LEU . 3.5 mt -88.94 -44.2 10.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 74.049999999999997 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.41 14.02 7.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 74.349999999999994 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.47 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -124.86 82.11 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 71.530000000000001 110.354 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.8 pt-20 -75.08 -17.41 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 74.239999999999995 110.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.35 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 60.299999999999997 110.383 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.27 -41.58 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.030000000000001 110.263 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -48.37 -36.29 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.209999999999994 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.39 -47.9 77.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.239999999999995 110.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -58.22 -50.02 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.439999999999998 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.17 -52.7 64.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.5 109.996 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 70' ' ' ALA . 8.1 mt -58.64 -29.68 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.329999999999998 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -85.87 -14.46 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 72.319999999999993 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.57 14.3 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 70.299999999999997 109.302 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.805 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.2 mt -130.49 54.07 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 70.099999999999994 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 3.7 mppt? -54.15 -37.57 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.510000000000005 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.85 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 35.219999999999999 109.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -71.32 124.54 24.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 73.549999999999997 109.317 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.75 -14.14 40.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.219999999999999 109.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 91' ' ' ASP . 47.0 t -76.05 -25.97 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 41.329999999999998 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.843 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -71.45 -45.75 61.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 62.049999999999997 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 4.4 mtm-85 -65.9 -27.75 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.420000000000002 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.902 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -85.5 -34.22 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.369 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.932 HG21 HD21 ' A' ' 42' ' ' LEU . 7.8 t -67.76 -10.64 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 71.109999999999999 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.72 -60.45 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.239999999999995 109.304 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.902 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt85 -74.19 -8.09 54.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 55.439999999999998 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.2 tp60 -88.51 -40.57 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.329999999999998 110.307 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.8 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.7 m-90 -116.81 -58.88 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 75.209999999999994 107.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.1 -21.02 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 63.530000000000001 109.268 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 59.21 31.66 69.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 75.219999999999999 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 82' ' ' SER . 27.5 m -57.38 -168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.439999999999998 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' SER . 4.5 t0 -91.6 21.17 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 61.32 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.684 ' H ' HG23 ' A' ' 80' ' ' VAL . 5.1 p 38.46 49.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 54.229999999999997 110.031 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 p -43.2 -26.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 71.129999999999995 110.375 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 82' ' ' SER . 1.6 mt-10 -87.8 -166.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 44.439999999999998 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' OD2' ' CD ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -96.93 144.13 27.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.329999999999998 109.299 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 83.49 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 74.150000000000006 110.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' CD ' ' OD2' ' A' ' 85' ' ' ASP . 6.5 pt-20 -151.8 132.56 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 64.040000000000006 110.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 -60.42 134.37 91.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 170.34 20.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 52.030000000000001 111.031 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.64 20.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.478 1.778 . . . . 62.530000000000001 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.825 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.5 m-20 -116.8 27.15 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 74.200000000000003 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -39.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 109.306 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -101.92 -37.86 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 73.409999999999997 110.004 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -49.72 -58.2 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 71.409999999999997 107.988 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.803 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -47.67 -25.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 72.420000000000002 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 8' ' ' LEU . 2.7 t -84.35 -38.76 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 61.539999999999999 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.671 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.22 -30.65 71.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 63.130000000000003 109.344 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 9.2 mtt180 -85.06 -26.46 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.040000000000006 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 43' ' ' LEU . 5.2 tt -74.4 -47.6 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.549999999999997 109.275 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -69.17 -18.16 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 73.319999999999993 111.009 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.557 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.4 t60 -66.95 -24.68 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 63.229999999999997 109.589 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -94.53 -32.42 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.319999999999993 109.332 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.38 -22.67 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 72.510000000000005 109.313 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.811 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.88 -10.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 64.209999999999994 109.249 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -99.69 -20.16 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.219999999999999 110.288 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.48 -11.79 47.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 64.530000000000001 110.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt 69.56 27.46 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 71.400000000000006 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.36 -39.24 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.329999999999998 109.346 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.922 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.2 m -138.97 153.35 71.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 74.25 108.29 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.31 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 70.219999999999999 110.995 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.59 59.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 34.539999999999999 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 p -56.18 -26.75 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.019999999999996 110.04 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.807 HD12 ' CB ' ' A' ' 6' ' ' PRO . 4.4 mm? -82.84 -50.72 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.811 HH21 ' CB ' ' A' ' 104' ' ' ALA . 10.7 ttm180 -50.36 -23.62 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.319999999999993 110.263 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.7 OUTLIER -81.26 -69.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 73.340000000000003 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.501 HG12 ' OE2' ' A' ' 120' ' ' GLU . 75.7 t -42.2 -37.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.239999999999995 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -62.07 -61.31 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 53.32 109.261 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.9 m-85 -44.11 -36.93 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 74.109999999999999 111.02 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' VAL . 84.7 mt-30 -60.04 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 44.240000000000002 110.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.501 ' OE2' HG12 ' A' ' 116' ' ' VAL . 15.4 mt-10 -47.85 -23.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 72.319999999999993 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.08 -34.95 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 72.219999999999999 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 HE22 ' A' ' 137' ' ' GLN . 13.9 t -72.15 -10.12 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.209999999999994 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' SER . 14.3 mmt180 -89.19 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.439999999999998 110.278 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 125' ' ' LEU . 7.5 t -40.55 -39.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 72.200000000000003 110.395 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.563 HD13 ' CB ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -65.48 -47.11 77.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.030000000000001 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 123' ' ' ARG . 36.3 t -64.34 -60.37 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.4 t -39.14 -58.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.150000000000006 110.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -74.33 -23.29 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 71.040000000000006 110.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.4 t70 64.54 52.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.540000000000006 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 125' ' ' LEU . 29.5 t0 -59.53 174.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 62.210000000000001 109.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -88.27 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.510000000000005 109.633 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.504 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -113.99 -2.1 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.296 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -47.0 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 64.25 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.619 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.88 -33.32 43.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 54.439999999999998 110.985 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.34 -29.96 70.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 55.130000000000003 110.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.8 tp -77.56 -37.28 51.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 72.140000000000001 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.678 HE22 HG22 ' A' ' 122' ' ' VAL . 59.5 mm-40 -62.36 -18.66 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 75.420000000000002 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -106.56 -2.44 21.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 74.030000000000001 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 3.3 tt0 -98.12 -45.28 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 71.340000000000003 110.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.28 -13.04 61.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 72.010000000000005 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.583 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.6 mtm180 -98.3 -58.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 72.140000000000001 110.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -50.66 -22.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.430000000000007 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.5 mmp_? -85.39 -78.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.319999999999993 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.73 -55.59 22.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 51.520000000000003 108.294 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.73 66.98 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 74.430000000000007 111.045 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.78 -171.46 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 74.010000000000005 108.021 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -112.26 61.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.040000000000006 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.3 tt -72.78 -25.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 61.130000000000003 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.583 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -58.49 -18.06 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 35.329999999999998 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 91.01 -3.54 80.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.542 1.151 . . . . 73.120000000000005 110.967 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.25 164.33 0.62 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 74.409999999999997 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.562 ' CB ' HD11 ' A' ' 155' ' ' ILE . 18.3 Cg_endo -74.98 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 72.340000000000003 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.77 -58.31 0.43 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 34.340000000000003 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t 173.8 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 73.340000000000003 109.974 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -147.69 133.48 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 70.450000000000003 109.306 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.209999999999994 110.333 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.591 -0.522 . . . . 73.219999999999999 109.591 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp -97.64 -13.2 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 75.239999999999995 111.034 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.97 122.09 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 71.310000000000002 109.306 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -108.49 40.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 65.510000000000005 108.313 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . 1.081 HG23 HG21 ' A' ' 116' ' ' VAL . 50.5 m -152.6 149.46 28.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 74.310000000000002 110.395 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.75 78.3 1.4 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.572 1.17 . . . . 71.409999999999997 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.753 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.93 -169.9 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 54.240000000000002 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.15 174.13 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 73.219999999999999 110.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.69 -52.31 34.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 73.239999999999995 109.281 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -27.37 10.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 62.43 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -50.42 -46.79 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 65.310000000000002 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -63.08 -34.53 77.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.099999999999994 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -68.76 -38.06 79.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 62.439999999999998 111.005 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -51.49 51.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.27 -14.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 52.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tp -80.62 -40.4 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 55.439999999999998 109.289 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -80.82 -1.31 89.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 73.150000000000006 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.33 18.76 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 45.130000000000003 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.864 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -89.84 -75.24 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 54.140000000000001 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 179.02 136.28 2.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 54.240000000000002 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.1 tp60 -38.11 -55.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 74.340000000000003 110.249 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -69.07 -35.65 76.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 54.140000000000001 109.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.864 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 9.4 tptt -47.22 -31.37 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.009999999999998 109.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.2 -59.15 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 64.519999999999996 109.331 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 96.7 mt -46.54 -58.2 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.540000000000006 109.283 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.4 t80 -45.73 -71.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.400000000000006 110.98 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 28.4 mt -39.69 -56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 60.25 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD11 ' A' ' 51' ' ' LEU . 1.3 ttmt -45.07 -63.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 73.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 49.0 m80 -51.03 -22.7 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 63.009999999999998 109.612 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 2.5 tttp -85.27 -31.0 23.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 72.140000000000001 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.721 HD22 ' CG ' ' A' ' 40' ' ' GLN . 3.5 mt -80.95 -20.09 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 71.349999999999994 109.348 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.6 mmtt -38.4 -36.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.540000000000006 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.31 108.31 40.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 41.509999999999998 110.363 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.1 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.47 1.774 . . . . 54.119999999999997 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.542 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.85 159.96 56.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 75.409999999999997 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.08 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 52.530000000000001 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.18 28.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 54.149999999999999 110.986 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.07 124.68 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 73.299999999999997 108.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -125.52 -1.16 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 75.450000000000003 110.289 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.8 -28.78 5.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 75.549999999999997 111.052 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.721 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.3 tt0 -76.59 -60.7 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 74.519999999999996 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.892 ' CB ' HD21 ' A' ' 64' ' ' LEU . 11.7 t0 -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 73.299999999999997 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HG21 ' A' ' 73' ' ' VAL . 24.6 tp -66.04 -47.5 74.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 75.310000000000002 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.783 HD13 HD11 ' A' ' 99' ' ' LEU . 27.1 tp -61.57 -29.92 70.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 61.43 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.578 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.0 t-160 -62.05 -27.52 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 63.25 109.553 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -84.49 -17.44 39.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 64.549999999999997 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 35.7 mtp -98.66 -20.33 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 71.530000000000001 111.029 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 43' ' ' LEU . 40.2 t -76.76 -48.42 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.310000000000002 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.2 mm? -47.13 -50.41 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 64.209999999999994 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.518 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.1 mt -47.06 -53.17 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 71.040000000000006 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 3.0 mmmt -40.38 -35.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 75.319999999999993 109.277 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 27' ' ' LYS . 1.9 mt -83.49 -44.7 14.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 63.240000000000002 109.334 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.84 13.32 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 74.400000000000006 110.984 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.1 pt20 -121.45 80.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 63.340000000000003 110.352 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -74.65 -17.51 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.209999999999994 110.347 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -38.23 -34.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 62.009999999999998 110.416 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.7 mp0 -89.21 -45.48 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 55.119999999999997 110.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.34 -39.2 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.349999999999994 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -61.08 -47.03 88.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 61.310000000000002 110.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -60.32 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 p -45.47 -50.16 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.25 110.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 7.3 mt -53.65 -49.77 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 72.230000000000004 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.21 -13.97 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 75.209999999999994 110.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -82.6 5.0 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.430000000000007 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.892 HD21 ' CB ' ' A' ' 41' ' ' ASP . 10.9 mt -118.7 47.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 55.109999999999999 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -49.88 -24.98 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 71.5 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.82 34.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.281 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.6 t0 -158.6 129.41 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -87.68 -31.16 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 53.240000000000002 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 95' ' ' ALA . 10.7 t -55.16 -22.24 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 71.319999999999993 109.345 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.612 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.87 -45.18 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.140000000000001 109.275 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -12.68 60.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.420000000000002 110.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -97.38 -25.72 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.030000000000001 109.284 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.88 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 7.0 t -87.7 -6.46 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.329999999999998 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.999 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -85.18 -35.42 21.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 72.439999999999998 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.694 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.3 ptt-85 -98.3 -6.15 31.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.310000000000002 110.29 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 4.1 tp-100 -91.3 -44.14 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.88 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 23.8 m-90 -107.25 -58.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 74.430000000000007 107.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -56.65 -43.17 80.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 65.430000000000007 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.2 42.27 29.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 71.540000000000006 110.99 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.563 HG23 ' H ' ' A' ' 82' ' ' SER . 25.9 m -61.16 -138.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 63.119999999999997 109.257 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.555 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.2 t70 -107.34 22.48 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.430000000000007 109.337 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.563 ' H ' HG23 ' A' ' 80' ' ' VAL . 73.5 p 36.01 54.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 73.549999999999997 110.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 p -45.0 -24.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 64.400000000000006 110.407 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 18.1 mm-40 -90.38 -170.89 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.430000000000007 110.345 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.9 172.61 3.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 74.2 4.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 63.32 110.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.92 123.27 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 63.240000000000002 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.44 149.07 71.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 70.450000000000003 110.271 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.92 173.38 14.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 72.310000000000002 111.009 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.86 18.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 71.450000000000003 110.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -108.64 27.16 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 64.030000000000001 109.244 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -39.99 -69.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 64.439999999999998 109.321 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.538 ' H ' HG13 ' A' ' 92' ' ' VAL . 58.0 m -80.91 -43.92 19.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 71.109999999999999 110.049 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.035 ' CD2' HD12 ' A' ' 136' ' ' LEU . 3.2 t90 -41.74 -66.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 75.209999999999994 108.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.43 -53.5 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 60.43 109.293 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 92' ' ' VAL . 29.6 t -50.24 -43.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.019999999999996 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.84 -28.91 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 62.140000000000001 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.576 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 34.6 mtt180 -82.14 -21.33 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.519999999999996 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.783 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -80.26 -41.75 24.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 63.329999999999998 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.3 m-85 -70.25 -29.04 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 71.420000000000002 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -56.47 -19.3 14.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 55.420000000000002 109.549 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.2 mt -95.66 -25.17 16.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 71.340000000000003 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.883 HD23 ' OE2' ' A' ' 106' ' ' GLU . 75.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 109.267 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.94 -4.88 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 74.329999999999998 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.16 -19.73 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.519999999999996 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.883 ' OE2' HD23 ' A' ' 103' ' ' LEU . 1.9 pt-20 -107.63 -7.96 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.439999999999998 110.297 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 71.96 46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 74.420000000000002 109.308 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.752 HD12 ' CD2' ' A' ' 103' ' ' LEU . 9.8 mt -99.33 -27.64 13.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 62.200000000000003 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 27.2 p -154.51 151.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 75.219999999999999 108.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.423 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.3 Cg_endo -74.97 144.66 30.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 50.399999999999999 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.7 -26.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 53.539999999999999 109.275 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 110' ' ' PRO . 15.4 m -45.83 -45.86 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 62.299999999999997 110.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -63.61 -48.01 79.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.409999999999997 109.264 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.3 ttp180 -50.38 -26.45 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 70.120000000000005 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 15.7 m-20 -86.05 -68.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 75.510000000000005 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 1.081 HG21 HG23 ' A' ' 4' ' ' THR . 72.6 t -39.34 -34.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.349999999999994 109.242 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -70.3 -53.66 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.030000000000001 109.245 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.77 -40.67 66.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 70.409999999999997 111.034 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 122' ' ' VAL . 83.1 mt-30 -52.2 -64.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.420000000000002 110.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -44.97 -27.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.340000000000003 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -79.04 -45.47 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 65.530000000000001 109.334 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.662 HG13 ' OE1' ' A' ' 137' ' ' GLN . 48.8 t -53.63 -20.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 61.219999999999999 109.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.4 mmt180 -89.4 -66.12 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 64.129999999999995 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.39 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 53.130000000000003 110.43 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -87.69 -63.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 61.229999999999997 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.494 ' N ' HD23 ' A' ' 133' ' ' LEU . 10.0 t -38.16 -48.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 72.319999999999993 110.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -53.23 -58.75 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 64.140000000000001 110.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.496 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -79.76 4.87 15.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 75.239999999999995 110.264 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.6 m-20 42.36 36.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 71.420000000000002 109.241 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.496 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.4 t0 -41.79 154.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.319999999999993 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -74.32 -4.39 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 63.340000000000003 109.592 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.91 -0.07 18.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.450000000000003 110.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -51.6 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.200000000000003 109.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.758 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.93 -31.49 24.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 64.519999999999996 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.61 -31.97 73.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 72.310000000000002 110.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.035 HD12 ' CD2' ' A' ' 94' ' ' TRP . 7.4 tt -74.72 -47.27 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 62.340000000000003 109.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.662 ' OE1' HG13 ' A' ' 122' ' ' VAL . 33.8 mm-40 -52.01 -23.98 5.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 73.540000000000006 110.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -99.36 -22.65 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 75.329999999999998 109.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 1.5 tt0 -75.27 -61.64 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 75.439999999999998 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -52.21 -20.25 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.200000000000003 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 145' ' ' GLY . 7.8 mtm105 -86.97 -64.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 72.109999999999999 110.273 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -46.26 -26.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.430000000000007 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.6 mmp_? -81.22 -78.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 61.310000000000002 110.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -64.86 -56.72 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 64.510000000000005 108.34 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.52 63.68 0.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 61.240000000000002 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.33 -167.39 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 72.140000000000001 107.972 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -115.47 60.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 74.209999999999994 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.6 tt -69.11 -35.46 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 73.129999999999995 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.01 -20.29 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 52.140000000000001 109.294 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 100.72 -4.39 56.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 64.409999999999997 110.98 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.04 162.8 0.46 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 65.349999999999994 109.309 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.678 ' CD ' HD11 ' A' ' 155' ' ' ILE . 18.3 Cg_endo -75.03 -7.9 19.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 53.130000000000003 111.001 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.45 -16.19 46.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 52.200000000000003 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 61.4 m -90.66 22.16 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 64.400000000000006 109.977 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.678 HD11 ' CD ' ' A' ' 152' ' ' PRO . 1.2 pt -150.98 161.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 74.239999999999995 109.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 71.109999999999999 110.346 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.617 -0.512 . . . . 74.420000000000002 109.617 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mmm -121.11 -174.91 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.239999999999995 110.951 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.12 167.09 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 71.120000000000005 109.346 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 t -122.04 21.7 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.340000000000003 108.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 p -139.23 -179.35 5.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 71.239999999999995 110.384 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.22 -92.71 1.42 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 61.310000000000002 111.041 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.04 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 63.229999999999997 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.79 167.97 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 63.509999999999998 109.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.962 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -62.36 -51.67 71.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 65.530000000000001 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.96 -25.26 12.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 55.229999999999997 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.0 t -51.55 -45.74 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.219999999999999 110.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.55 -26.97 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 55.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -73.68 -36.23 65.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.040000000000006 111.028 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.64 -37.45 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 74.230000000000004 109.246 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.884 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.7 mt -70.41 -19.52 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 64.209999999999994 109.303 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.986 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -69.24 -54.37 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 61.340000000000003 109.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.44 -7.32 60.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 64.310000000000002 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 13.54 34.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 63.009999999999998 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.93 -65.04 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.329999999999998 109.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 161.78 134.1 1.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 60.219999999999999 110.965 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 27.2 tp60 -37.55 -56.07 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 74.040000000000006 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -63.34 -40.7 98.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 72.049999999999997 109.315 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.9 tptt -46.99 -31.95 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 70.430000000000007 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -73.47 -59.98 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 109.306 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.8 mt -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 34.399999999999999 109.331 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.6 t80 -54.65 -72.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 55.229999999999997 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 ' OE2' ' A' ' 106' ' ' GLU . 81.0 mt -39.12 -60.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 71.420000000000002 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -43.05 -61.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 73.340000000000003 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 37.1 m80 -52.19 -30.43 27.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.654 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LEU . 8.8 tttt -79.3 -26.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 53.140000000000001 109.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -81.71 -24.32 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 65.329999999999998 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 19.5 mmtt -39.35 -31.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 51.039999999999999 109.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.48 HG22 ' O ' ' A' ' 32' ' ' THR . 0.9 OUTLIER -117.25 98.95 52.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 71.209999999999994 110.386 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 150.95 39.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 72.420000000000002 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -91.75 159.12 39.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 73.140000000000001 110.292 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.31 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.484 1.781 . . . . 73.5 111.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.05 5.04 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 61.140000000000001 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.38 123.27 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.356 -0.979 . . . . 64.329999999999998 108.356 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . 1.5 mp0 -123.93 -2.92 8.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 73.430000000000007 110.32 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.17 -32.63 4.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 74.329999999999998 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.666 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.53 -67.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.753 . . . . 71.140000000000001 110.33 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.873 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.1 t0 -40.22 -41.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.439999999999998 109.294 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.08 -49.94 70.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 65.530000000000001 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.986 ' CD1' HD11 ' A' ' 15' ' ' LEU . 5.3 tp -58.89 -29.35 66.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 73.239999999999995 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.3 t-160 -58.62 -41.62 86.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.109999999999999 109.586 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -76.85 -21.61 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.25 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.439 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 44.5 mtp -90.71 -8.17 50.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 71.310000000000002 110.962 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 43' ' ' LEU . 51.1 t -94.91 -51.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 61.530000000000001 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.4 mm? -41.93 -50.12 4.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.400000000000006 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 77' ' ' TRP . 5.2 mp -50.28 -52.61 34.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 64.400000000000006 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD3' ' CE1' ' A' ' 12' ' ' PHE . 3.4 mmmt -40.51 -30.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 72.340000000000003 109.305 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.08 -43.31 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 74.340000000000003 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.03 14.73 7.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 72.540000000000006 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.41 ' OE1' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -120.39 72.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 61.43 110.308 179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.61 -17.97 63.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 74.430000000000007 110.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' HD13 ' A' ' 59' ' ' ILE . 1.1 m -39.0 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.329999999999998 110.378 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.76 -44.13 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 60.229999999999997 110.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.6 -37.84 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 63.240000000000002 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -61.99 -38.94 90.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.120000000000005 110.35 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -67.63 -62.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 64.230000000000004 109.259 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 t -43.61 -45.6 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 70.230000000000004 110.0 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.849 HD22 ' O ' ' A' ' 70' ' ' ALA . 12.3 mt -56.08 -47.53 77.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.049999999999997 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -66.62 -13.68 61.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.519999999999996 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.1 12.95 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.019999999999996 109.338 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 41' ' ' ASP . 20.2 mt -124.45 54.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.209999999999994 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' C ' ' NH2' ' A' ' 71' ' ' ARG . 9.4 mmmm -59.64 -15.87 22.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 64.439999999999998 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.97 -44.02 11.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 63.450000000000003 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.618 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.02 130.17 36.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.340000000000003 109.318 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.35 -17.23 26.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 74.310000000000002 109.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 95' ' ' ALA . 3.2 t -77.75 -19.53 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 71.519999999999996 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.849 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.98 -7.91 44.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 64.239999999999995 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' NH2' ' C ' ' A' ' 65' ' ' LYS . 5.3 mmt85 -101.24 -37.19 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.010000000000005 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -80.58 -11.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 73.310000000000002 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 24.6 t -96.64 -6.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 62.549999999999997 109.275 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.993 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.94 -35.64 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 55.310000000000002 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.778 HH21 HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -98.28 -5.99 31.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 74.109999999999999 110.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -91.67 -44.74 8.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 54.520000000000003 110.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.962 ' CH2' HD22 ' A' ' 8' ' ' LEU . 22.0 m-90 -106.73 -58.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.97 -1.122 . . . . 53.549999999999997 107.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.993 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -57.45 -24.88 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 51.229999999999997 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 55.23 41.36 78.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 53.130000000000003 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 74' ' ' ALA . 20.5 m -60.51 -140.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 63.130000000000003 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.573 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.2 t0 -112.32 26.7 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 64.420000000000002 109.273 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.569 ' H ' HG23 ' A' ' 80' ' ' VAL . 88.0 p 35.88 51.55 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 72.040000000000006 109.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -54.98 -18.47 5.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 71.209999999999994 110.365 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 1.0 OUTLIER -98.84 -161.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 70.109999999999999 110.331 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 3.8 t0 -93.38 132.01 31.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 72.209999999999994 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.23 5.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 73.109999999999999 110.979 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' CG ' ' OD1' ' A' ' 85' ' ' ASP . 3.2 mm-40 -126.35 -168.81 1.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 70.340000000000003 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.592 ' HB3' HG11 ' A' ' 92' ' ' VAL . 10.1 mt-10 -107.41 129.8 23.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 73.409999999999997 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.682 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 74.409999999999997 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 75.219999999999999 110.999 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 67.1 m-20 -119.24 26.55 9.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 74.450000000000003 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -46.87 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 64.25 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.469 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.1 m -66.13 -50.28 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 73.409999999999997 110.031 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.079 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.4 t90 -39.89 -67.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.239999999999995 108.038 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.21 -53.67 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 64.230000000000004 109.297 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.814 HG22 ' HG ' ' A' ' 8' ' ' LEU . 20.1 t -51.67 -46.54 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.540000000000006 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -60.53 -62.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 53.130000000000003 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 27.1 mtt180 -48.46 -25.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 71.219999999999999 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 43' ' ' LEU . 2.3 tp -81.13 -40.71 23.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.109999999999999 109.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.981 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 3.7 m-85 -76.53 -10.63 59.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 64.310000000000002 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.0 t60 -77.82 -18.93 55.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 65.310000000000002 109.625 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -97.26 -28.43 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 72.010000000000005 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.996 HD23 ' OE1' ' A' ' 106' ' ' GLU . 43.2 mt -65.87 -29.04 69.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.099999999999994 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.71 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.95 -3.27 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 73.420000000000002 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -99.74 -20.24 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.530000000000001 110.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.996 ' OE1' HD23 ' A' ' 103' ' ' LEU . 3.0 pt-20 -105.38 -9.47 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.120000000000005 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 77.44 38.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 71.409999999999997 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 26' ' ' LEU . 10.2 mt -95.64 -39.58 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 62.420000000000002 109.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.884 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -140.14 148.67 55.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 74.019999999999996 108.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.45 ' HG2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.97 155.52 43.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 64.540000000000006 110.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.03 -12.94 43.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 71.219999999999999 109.321 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -16.4 61.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 63.219999999999999 109.967 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 6' ' ' PRO . 3.7 mm? -96.47 -40.35 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 71.420000000000002 109.349 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.71 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.4 ttm180 -57.54 -25.77 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.219999999999999 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.503 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -81.68 -66.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 60.119999999999997 109.293 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -45.59 -35.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 55.25 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -65.01 -53.28 48.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 72.120000000000005 109.315 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.841 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -53.27 -43.64 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 64.329999999999998 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.535 ' O ' HG22 ' A' ' 122' ' ' VAL . 75.0 mt-30 -53.57 -52.27 60.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 61.450000000000003 110.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.21 -13.93 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 71.040000000000006 110.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -91.7 -30.13 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 62.109999999999999 109.351 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -81.54 -27.18 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 62.299999999999997 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -76.12 -32.82 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 74.140000000000001 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -40.37 65.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.530000000000001 110.41 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 84.8 mt -76.79 -43.82 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.219999999999999 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.563 ' OG ' HD21 ' A' ' 133' ' ' LEU . 68.2 m -65.11 -35.79 82.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 43.310000000000002 109.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 10.6 t -66.71 -36.56 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.009 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -100.66 6.44 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 110.332 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.4 m-20 42.1 49.22 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 54.439999999999998 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.499 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 27.3 t0 -62.33 176.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 74.409999999999997 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -92.93 -15.34 26.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 51.5 109.596 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.1 OUTLIER -101.41 16.5 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 73.120000000000005 110.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -70.73 -63.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 73.019999999999996 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.9 -30.16 44.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 63.100000000000001 110.973 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.73 -29.57 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 73.219999999999999 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.079 HD13 ' CE2' ' A' ' 94' ' ' TRP . 40.8 tp -74.7 -42.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.219999999999999 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.802 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 39.0 mm-40 -62.74 -13.96 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 73.25 110.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -106.77 -4.97 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 75.25 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.36 -47.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 71.200000000000003 110.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -66.91 -16.43 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.200000000000003 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 36.7 mtm180 -91.63 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -51.4 -21.79 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 73.230000000000004 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.0 mmp_? -85.92 -77.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.540000000000006 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.42 -55.99 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 65.150000000000006 108.28 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.81 65.34 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 74.450000000000003 111.014 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.874 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.36 -170.77 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.98 -1.118 . . . . 73.409999999999997 107.98 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -114.7 62.69 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.329999999999998 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.874 HD12 ' CH2' ' A' ' 146' ' ' TRP . 9.9 tt -65.59 -37.06 79.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.430000000000007 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.802 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -46.59 -25.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 54.25 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 101.43 4.44 52.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 54.32 110.987 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -50.36 163.66 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 64.310000000000002 109.323 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.28 21.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 73.030000000000001 111.0 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.07 6.44 42.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 65.120000000000005 111.026 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t 71.71 38.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 74.019999999999996 109.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 4.9 pt -109.81 166.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 72.450000000000003 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 63.43 110.313 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.7 p80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.587 -0.523 . . . . 75.129999999999995 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.83 17.6 22.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.019999999999996 110.973 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.46 115.86 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 44.210000000000001 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.94 92.93 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.209999999999994 108.306 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 t -39.63 137.1 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 71.340000000000003 110.367 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.39 -87.63 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 75.049999999999997 110.974 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.748 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 54.100000000000001 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.464 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.8 t 179.99 178.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 63.140000000000001 109.966 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.55 -52.01 20.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 63.109999999999999 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.05 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 71.030000000000001 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.455 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 58.3 m -44.62 -44.99 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 75.010000000000005 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.867 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.32 -37.66 86.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.299999999999997 109.287 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.24 -35.86 78.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 71.140000000000001 111.004 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.21 -53.29 46.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 72.129999999999995 109.314 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.63 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.9 mt -56.66 -24.32 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 72.450000000000003 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.41 -56.61 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 51.420000000000002 109.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.77 -6.73 52.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 74.540000000000006 110.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.54 -16.51 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.140000000000001 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.874 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -68.43 -65.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 159.19 139.06 2.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 62.109999999999999 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -42.18 -58.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 72.219999999999999 110.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -62.54 -25.31 67.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 64.340000000000003 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.874 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.13 -17.32 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 64.150000000000006 109.307 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -93.6 -44.38 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.239999999999995 109.273 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 82.1 mt -61.53 -48.36 81.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.25 109.284 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.95 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 63.020000000000003 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' OE2' ' A' ' 106' ' ' GLU . 87.1 mt -49.05 -38.65 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.340000000000003 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.455 ' CB ' ' O ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -54.28 -52.15 62.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 75.120000000000005 109.266 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 43.0 m80 -65.08 -12.13 47.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 54.219999999999999 109.614 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -86.12 -49.82 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 73.400000000000006 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 44' ' ' HIS . 1.8 mt -59.97 -16.52 31.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 72.519999999999996 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 9.7 mmtt -39.49 -39.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.420000000000002 109.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' THR . 0.5 OUTLIER -110.93 119.14 46.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 73.430000000000007 110.375 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.06 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 53.210000000000001 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.05 164.79 37.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 110.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 70.109999999999999 111.029 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.63 22.57 13.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 22.109999999999999 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.25 116.01 22.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.316 -0.994 . . . . 73.540000000000006 108.316 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -119.85 -8.78 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.349999999999994 110.263 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.64 -38.0 2.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 51.32 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.673 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -63.22 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.420000000000002 110.279 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.747 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.3 t0 -45.87 -41.21 10.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.310000000000002 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 73' ' ' VAL . 19.1 tp -60.99 -54.35 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 74.340000000000003 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.6 tp -56.26 -32.29 64.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.25 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.711 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.8 t-160 -56.38 -27.85 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.150000000000006 109.587 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -86.76 -20.92 26.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 60.439999999999998 109.374 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.61 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 42.4 mtp -93.37 -7.3 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.340000000000003 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 43' ' ' LEU . 60.2 t -94.71 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 61.310000000000002 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.38 -40.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 72.340000000000003 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.532 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.2 mt -55.15 -58.64 6.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.409999999999997 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.751 ' HB3' HD13 ' A' ' 23' ' ' LEU . 21.6 mmtt -42.99 -28.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 74.439999999999998 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD12 HD13 ' A' ' 48' ' ' LEU . 4.7 mt -83.68 -45.63 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 71.019999999999996 109.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.52 18.8 6.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 34.229999999999997 111.019 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.25 81.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 71.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -71.64 -20.04 62.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.109999999999999 110.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.84 -35.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 71.099999999999994 110.361 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -86.67 -48.36 8.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 73.030000000000001 110.273 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.48 -39.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 53.340000000000003 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -62.7 -49.92 73.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 75.239999999999995 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.73 -48.03 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 64.420000000000002 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -44.67 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 71.340000000000003 110.017 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.973 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.5 mt -62.7 -35.82 80.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 63.240000000000002 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.47 -14.61 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 61.200000000000003 110.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.04 7.72 20.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.409999999999997 109.248 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.747 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -134.31 54.56 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 61.340000000000003 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.2 mmpt? -59.65 -20.26 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.319999999999993 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.4 -52.11 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 51.310000000000002 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -66.11 111.45 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 64.049999999999997 109.308 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -74.98 -2.05 25.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 74.010000000000005 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.764 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 t -88.52 -23.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.119999999999997 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.973 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.23 -46.87 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 54.149999999999999 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -62.25 -31.63 72.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 71.329999999999998 110.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.988 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -83.75 -39.08 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.430000000000007 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.708 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -65.34 -11.42 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 70.409999999999997 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.69 -68.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 71.129999999999995 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.988 HH21 HD23 ' A' ' 72' ' ' LEU . 3.7 ptt-85 -67.27 -7.11 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 110.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -89.6 -45.07 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.049999999999997 110.326 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.799 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.9 m-90 -113.39 -59.63 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 108.042 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -46.1 -26.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 40.450000000000003 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 78.33 16.61 79.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 73.409999999999997 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.7 t -43.0 164.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 74.230000000000004 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 2.3 t0 -84.65 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.099999999999994 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' ASP . 55.7 p 36.29 33.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 55.439999999999998 109.959 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' ASP . 6.8 p -42.66 -26.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 71.349999999999994 110.373 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 4.9 mm-40 -93.75 -159.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 72.540000000000006 110.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -102.85 139.77 20.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.519999999999996 109.298 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 53.140000000000001 110.968 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' CD ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 pt-20 -150.63 129.72 12.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 61.25 110.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.38 136.33 96.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 74.099999999999994 110.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 71.040000000000006 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 45.340000000000003 111.017 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 1.2 m-20 -99.19 24.55 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.309 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -41.49 -45.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 55.299999999999997 109.264 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -106.3 -41.39 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 54.350000000000001 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 136' ' ' LEU . 4.8 t90 -42.88 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 75.129999999999995 108.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.75 -50.67 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 55.299999999999997 109.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.9 t -51.86 -32.69 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.439999999999998 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.698 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -74.06 -37.41 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 61.200000000000003 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 10.5 mtt180 -77.78 -16.75 58.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 73.349999999999994 110.335 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -86.09 -52.74 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 72.329999999999998 109.32 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.867 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.2 m-85 -61.16 -21.09 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 55.310000000000002 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -17.6 64.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 75.430000000000007 109.59 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -97.21 -31.18 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.040000000000006 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.699 HD23 ' OE1' ' A' ' 106' ' ' GLU . 76.9 mt -65.54 -30.74 71.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 61.109999999999999 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.18 -3.41 29.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.439999999999998 109.31 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 1.8 mm-40 -99.45 -19.34 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 74.129999999999995 110.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.868 ' OE1' HD12 ' A' ' 108' ' ' LEU . 1.2 pt-20 -109.54 12.59 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.310000000000002 110.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp 54.89 49.27 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.200000000000003 109.348 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.868 HD12 ' OE1' ' A' ' 106' ' ' GLU . 20.3 mt -112.04 -32.75 6.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.430000000000007 109.339 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.669 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.6 m -144.56 140.13 16.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 64.230000000000004 108.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.97 152.15 40.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 71.420000000000002 111.007 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.09 15.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.219999999999999 109.344 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 19.9 m -55.7 -20.42 14.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 44.420000000000002 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 6' ' ' PRO . 2.3 mm? -94.84 -30.36 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 64.219999999999999 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.1 ttp180 -70.01 -27.18 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.109999999999999 110.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.487 ' OD2' HG23 ' A' ' 116' ' ' VAL . 1.1 p30 -80.34 -50.85 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.420000000000002 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.569 HG12 ' HD2' ' A' ' 6' ' ' PRO . 51.9 t -66.37 -28.64 44.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 73.129999999999995 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 113' ' ' LEU . . . -71.29 -34.07 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 54.140000000000001 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 m-85 -74.14 -43.61 56.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 54.340000000000003 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.63 -49.19 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 33.109999999999999 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -58.93 -14.43 9.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.120000000000005 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -93.85 -50.28 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 73.239999999999995 109.337 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 1.057 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -61.42 -25.51 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 62.43 109.286 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -72.93 -32.71 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.329999999999998 110.312 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.6 HG22 HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -83.43 -40.42 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 63.119999999999997 110.365 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.6 HD23 HG22 ' A' ' 124' ' ' THR . 2.1 mm? -68.21 -42.67 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 65.219999999999999 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.1 t -73.5 -39.59 64.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.530000000000001 109.967 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 6.0 t -57.96 -32.93 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 71.109999999999999 109.968 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.2 OUTLIER -103.43 -8.29 20.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 72.420000000000002 110.345 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 53.34 51.17 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.409999999999997 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.48 ' CB ' HD13 ' A' ' 125' ' ' LEU . 25.7 t0 -63.42 -179.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.209999999999994 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -94.67 -4.89 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 71.200000000000003 109.637 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -111.31 2.94 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 55.119999999999997 110.347 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.1 tm? -57.12 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.735 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.51 -27.13 25.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 54.549999999999997 110.996 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.25 -31.95 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 65.439999999999998 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 HG12 ' A' ' 122' ' ' VAL . 5.8 tt -74.69 -42.74 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.019999999999996 109.286 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.807 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.2 mm-40 -61.49 -12.08 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.230000000000004 110.331 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.44 -8.97 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 73.239999999999995 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -94.94 -50.06 5.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -63.78 -15.31 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.040000000000006 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 145' ' ' GLY . 49.4 mtm180 -91.23 -62.01 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.120000000000005 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.53 -22.14 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 75.109999999999999 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 143' ' ' ARG . 12.3 mmp_? -85.36 -78.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.540000000000006 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.91 -55.57 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 61.329999999999998 108.255 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.46 70.17 0.88 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 44.310000000000002 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.969 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.95 -170.38 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.989 -1.115 . . . . 52.43 107.989 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -114.16 59.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.519999999999996 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.969 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -68.44 -14.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.040000000000006 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.807 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -78.88 0.22 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 62.329999999999998 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.8 20.45 78.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 54.240000000000002 110.994 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -51.36 164.63 0.47 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 73.150000000000006 109.322 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.555 ' O ' HG23 ' A' ' 155' ' ' ILE . 18.3 Cg_endo -74.99 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 71.230000000000004 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.03 24.94 67.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.125 . . . . 65.209999999999994 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 m 60.56 42.05 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 63.030000000000001 110.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 152' ' ' PRO . 6.0 pt -101.36 177.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 74.349999999999994 109.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.430000000000007 110.285 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.9 p80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.588 -0.523 . . . . 73.219999999999999 109.588 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtt -80.09 149.7 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 75.019999999999996 111.046 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HB2' ' OG ' ' A' ' 7' ' ' SER . . . -172.71 159.77 4.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.430000000000007 109.339 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -80.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 62.450000000000003 108.335 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 p -127.17 9.11 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 61.32 110.416 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.94 -85.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 70.420000000000002 111.023 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 74.530000000000001 110.967 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -174.38 172.77 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.240000000000002 110.012 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -66.26 -55.52 20.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.129999999999995 109.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.53 15.77 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.478 1.778 . . . . 64.209999999999994 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -54.66 -43.77 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.340000000000003 109.983 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.19 -26.79 68.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 65.109999999999999 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -69.86 -36.67 75.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.540000000000006 110.996 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -42.44 79.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.209999999999994 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 11' ' ' ALA . 5.2 mt -65.13 -22.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.319999999999993 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.7 mt -70.93 -60.57 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 71.510000000000005 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.49 -12.74 53.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 35.409999999999997 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.75 19.72 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 74.109999999999999 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.12 -72.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 52.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.555 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 173.92 136.52 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 22.440000000000001 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -40.73 -52.08 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 71.109999999999999 110.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.07 -31.78 66.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.530000000000001 109.324 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.4 tptt -53.36 -25.97 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 74.549999999999997 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.702 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -83.84 -59.0 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.25 109.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 51' ' ' LEU . 66.6 mt -47.16 -57.87 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 62.43 109.274 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.96 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.230000000000004 110.977 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.9 mt -39.8 -58.9 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 53.149999999999999 109.344 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE2' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 75.120000000000005 109.309 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 42.9 m80 -52.55 -22.17 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 75.549999999999997 109.626 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -81.0 -30.79 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 70.450000000000003 109.343 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.661 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.4 mt -76.29 -21.5 56.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.450000000000003 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 28.6 mmtt -38.59 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.400000000000006 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -105.01 104.95 49.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 64.219999999999999 110.36 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 140.04 25.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 64.340000000000003 110.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.46 168.1 13.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.120000000000005 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 72.209999999999994 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 27.97 36.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.152 . . . . 74.420000000000002 111.031 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.11 118.22 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.265 -1.013 . . . . 73.030000000000001 108.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -121.68 -4.5 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.319999999999993 110.311 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -108.5 -32.98 3.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 31.309999999999999 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.661 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.21 -64.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 74.340000000000003 110.284 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.869 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.1 t0 -48.2 -41.88 28.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.409999999999997 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 HG21 ' A' ' 73' ' ' VAL . 31.7 tp -60.75 -52.16 66.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 64.420000000000002 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.049 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.0 tp -58.25 -31.4 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 62.420000000000002 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.633 ' HA ' HD12 ' A' ' 30' ' ' LEU . 5.9 t-160 -59.69 -22.41 61.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.040000000000006 109.62 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.26 -20.55 21.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.439999999999998 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.3 mtp -93.92 -14.21 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.439999999999998 110.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 43' ' ' LEU . 38.7 t -86.51 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 73.230000000000004 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -40.27 -29.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 61.43 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.27 -58.54 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 73.450000000000003 109.289 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -37.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 70.439999999999998 109.282 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 24' ' ' LEU . 4.0 mp -75.55 -50.66 14.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 62.43 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.69 10.03 8.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 62.119999999999997 110.956 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -117.7 77.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 74.530000000000001 110.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.2 pt-20 -69.94 -18.54 63.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 73.400000000000006 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -39.12 -29.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 64.030000000000001 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -93.11 -45.02 8.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 73.030000000000001 110.293 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.7 -41.44 6.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 55.130000000000003 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' A' ' 61' ' ' LEU . 75.6 mtp180 -60.5 -48.57 81.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 62.420000000000002 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.83 -48.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.329999999999998 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -48.82 79.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 72.109999999999999 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.913 HD22 ' O ' ' A' ' 70' ' ' ALA . 5.9 mt -57.73 -39.16 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 74.019999999999996 109.301 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.71 -14.01 61.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.020000000000003 110.298 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.99 14.66 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 62.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.869 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.3 mt -132.34 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 72.450000000000003 109.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -54.34 -24.21 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 61.409999999999997 109.28 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.29 -48.15 12.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 52.340000000000003 109.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.39 119.84 14.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.219999999999999 109.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 89' ' ' PRO . . . -87.53 -15.1 38.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.539999999999999 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 96.1 t -80.31 -20.49 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.329999999999998 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.913 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -74.82 -66.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 73.400000000000006 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -48.93 -23.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 71.209999999999994 110.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.97 HD23 HH21 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -87.43 -37.04 17.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 63.530000000000001 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 HD11 ' A' ' 42' ' ' LEU . 4.1 t -65.35 -11.3 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 64.129999999999995 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.803 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.52 -68.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 60.299999999999997 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.97 HH21 HD23 ' A' ' 72' ' ' LEU . 5.3 ptt-85 -66.81 -7.81 24.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 71.230000000000004 110.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.1 tp-100 -87.98 -47.39 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.530000000000001 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 18.8 m-90 -107.74 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.97 -1.122 . . . . 74.420000000000002 107.97 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -43.62 -36.72 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.099999999999994 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 89.61 15.04 58.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 72.519999999999996 110.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 81' ' ' ASP . 44.8 t -45.45 170.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 74.219999999999999 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -78.79 3.36 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 62.340000000000003 109.341 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.3 p 55.69 52.17 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 53.109999999999999 110.008 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -57.61 -16.22 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 73.239999999999995 110.371 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 14.1 mt-10 -93.99 -161.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 74.209999999999994 110.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.28 121.32 82.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 72.049999999999997 109.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.525 1.803 . . . . 64.239999999999995 111.007 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -135.49 -168.76 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 70.120000000000005 110.293 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -108.02 138.25 20.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 110.278 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.754 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.03 173.65 14.15 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 61.039999999999999 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 53.399999999999999 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' HG23 ' A' ' 69' ' ' VAL . 35.9 m-20 -116.8 22.72 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 75.530000000000001 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -37.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 31.43 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -105.96 -41.25 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.430000000000007 110.028 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.029 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.5 t90 -44.82 -55.92 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 62.210000000000001 108.026 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -50.03 -36.51 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 63.119999999999997 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 7.5 t -71.8 -29.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 65.310000000000002 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.715 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -72.64 -41.78 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 72.239999999999995 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 1.3 mtt180 -78.15 -30.1 49.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.400000000000006 110.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 43' ' ' LEU . 4.2 tp -69.77 -39.73 76.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 74.129999999999995 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.97 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 6.2 m-85 -77.92 -22.57 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.120000000000005 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -60.82 -25.22 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.519999999999996 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.6 mt -92.7 -43.12 9.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 71.209999999999994 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 108' ' ' LEU . 95.1 mt -62.45 -17.57 59.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 50.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.26 -18.04 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 64.049999999999997 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -99.9 -30.05 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 71.430000000000007 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -67.4 -17.43 64.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 52.200000000000003 110.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt 79.2 41.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 54.200000000000003 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 103' ' ' LEU . 43.6 mt -111.59 -36.94 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 75.439999999999998 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.434 ' HB2' HD12 ' A' ' 113' ' ' LEU . 2.1 p -138.12 151.3 69.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 41.450000000000003 108.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.03 42.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 70.219999999999999 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.54 -12.23 42.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 52.240000000000002 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.2 m -63.57 -45.21 91.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 70.549999999999997 109.962 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 109' ' ' CYS . 24.7 mt -60.63 -38.11 83.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 72.430000000000007 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -57.2 -28.41 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.310000000000002 110.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.597 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -81.96 -64.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 72.519999999999996 109.307 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.461 HG12 ' OE2' ' A' ' 120' ' ' GLU . 21.2 t -40.23 -40.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.209999999999994 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.88 -58.82 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.209999999999994 109.325 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.724 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.6 m-85 -47.93 -40.82 23.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.56 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 83.6 mt-30 -57.17 -37.93 72.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 55.329999999999998 110.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE2' HG12 ' A' ' 116' ' ' VAL . 5.7 mt-10 -75.82 -8.31 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 64.340000000000003 110.354 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -99.4 -36.67 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 73.219999999999999 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 118' ' ' TYR . 1.8 p -80.85 -35.63 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 74.200000000000003 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -68.95 -28.6 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 75.209999999999994 110.331 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.51 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.2 t -85.39 -37.52 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 71.549999999999997 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.562 HD22 HD22 ' A' ' 136' ' ' LEU . 4.9 mp -79.03 -25.01 43.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.140000000000001 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.6 m -74.38 -44.28 52.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.119999999999997 109.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.010000000000005 110.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 130' ' ' ASP . 0.9 OUTLIER -94.93 2.15 55.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.030000000000001 110.327 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 41.28 52.94 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 72.329999999999998 109.328 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 20.2 t0 -56.28 157.14 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.349999999999994 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -71.44 -9.05 57.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 74.430000000000007 109.568 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.51 11.06 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.439999999999998 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.8 OUTLIER -61.85 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 71.319999999999993 109.322 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.835 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.15 -29.89 37.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.118 . . . . 71.209999999999994 110.976 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.35 -33.24 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 71.230000000000004 110.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.4 tp -75.36 -39.62 59.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 75.200000000000003 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.834 HE21 HD22 ' A' ' 133' ' ' LEU . 13.1 mm-40 -63.97 -18.41 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 70.209999999999994 110.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -102.65 -4.69 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 73.439999999999998 109.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.7 tt0 -98.88 -47.09 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 73.299999999999997 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.08 -18.06 65.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 70.299999999999997 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 22.4 mtm180 -92.45 -60.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 75.430000000000007 110.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -50.67 -22.49 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 72.150000000000006 109.337 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.4 mmp_? -86.93 -78.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.420000000000002 110.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -61.5 -55.98 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 65.549999999999997 108.342 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.26 68.8 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 61.439999999999998 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.868 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.37 -171.17 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 65.439999999999998 108.0 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.14 61.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 52.200000000000003 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.868 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 2.8 tt -70.37 -35.03 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 73.239999999999995 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.59 -21.93 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 52.520000000000003 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.63 -8.85 37.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 44.520000000000003 111.002 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.07 149.77 4.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 64.129999999999995 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 72.150000000000006 111.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 94.24 3.89 63.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 62.409999999999997 111.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 t 67.4 54.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 60.310000000000002 109.97 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 10.3 pt -121.26 115.17 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 62.549999999999997 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 72.409999999999997 110.323 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.589 -0.523 . . . . 73.409999999999997 109.589 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.49 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 25.9 mtm -82.08 121.63 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.409999999999997 111.033 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 71.63 36.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.409999999999997 109.325 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.74 -42.7 27.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 75.230000000000004 108.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.1 p -64.28 -174.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.420000000000002 110.388 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.45 -97.99 2.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 63.520000000000003 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' CD ' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.95 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 73.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -173.63 171.22 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.439999999999998 109.998 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -73.39 -49.84 6.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 63.119999999999997 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 75.299999999999997 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -59.46 -40.92 88.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.530000000000001 109.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' HB1' HD11 ' A' ' 103' ' ' LEU . . . -66.98 -35.67 80.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 62.420000000000002 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.798 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -65.08 -35.85 82.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 71.239999999999995 110.995 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.51 -28.19 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.420000000000002 109.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 11' ' ' ALA . 32.5 mt -78.04 -17.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.430000000000007 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 ' CD2' ' A' ' 43' ' ' LEU . 2.8 mt -73.37 -55.03 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 65.219999999999999 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.69 -6.26 49.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 54.020000000000003 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.91 12.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 52.32 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.885 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -57.92 -71.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 42.219999999999999 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.53 139.26 2.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 74.049999999999997 110.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.0 tp-100 -39.78 -61.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 64.400000000000006 110.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.74 -24.05 66.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 72.310000000000002 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.885 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.9 tptm -61.54 -16.19 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 61.200000000000003 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mt -92.4 -52.37 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 74.030000000000001 109.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.493 ' CD1' HD13 ' A' ' 51' ' ' LEU . 2.7 mm? -55.48 -51.89 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.109999999999999 109.305 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 26' ' ' LEU . 1.4 t80 -53.47 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.150000000000006 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 ' CE2' ' A' ' 25' ' ' TYR . 62.1 mt -43.11 -45.22 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 71.349999999999994 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.469 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -54.15 -54.96 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.230000000000004 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.408 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 43.6 m80 -64.39 -11.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.119999999999997 109.622 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -88.47 -38.26 15.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 75.5 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.642 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.7 mt -71.89 -20.52 61.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 73.140000000000001 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 39.7 mmtt -38.3 -42.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -99.32 109.27 54.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 72.219999999999999 110.396 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.56 25.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 74.430000000000007 110.992 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -90.48 168.89 13.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 70.140000000000001 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 71.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.66 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 73.310000000000002 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.7 116.57 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.268 -1.012 . . . . 71.150000000000006 108.268 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -120.85 -6.64 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.519999999999996 110.277 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.7 -35.28 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 72.400000000000006 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.592 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.8 tt0 -66.08 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 61.009999999999998 110.334 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.82 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.2 t70 -48.95 -40.24 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.200000000000003 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.83 -55.19 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 64.349999999999994 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.054 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.3 mt -58.13 -34.21 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.109999999999999 109.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.549 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.2 t60 -57.32 -20.88 31.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 72.030000000000001 109.556 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.24 -20.17 22.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 64.230000000000004 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.6 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 38.7 mtp -98.6 -14.04 20.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.439999999999998 110.975 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 43' ' ' LEU . 41.3 t -85.44 -50.69 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 74.239999999999995 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.7 OUTLIER -43.85 -48.5 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.409999999999997 109.255 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.584 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.3 mt -50.94 -51.48 51.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 63.109999999999999 109.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.957 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.1 mmmt -41.23 -29.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 71.299999999999997 109.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.647 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.55 -43.21 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 62.020000000000003 109.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.04 16.25 6.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 60.020000000000003 111.001 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.579 ' NE2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -125.3 82.81 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 75.140000000000001 110.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -76.95 -18.63 58.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 71.109999999999999 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -37.99 -34.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 60.119999999999997 110.378 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ILE . 20.1 mp0 -88.73 -46.77 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.239999999999995 110.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -41.49 -35.77 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.109999999999999 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.4 mtp180 -69.07 -50.07 51.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.439999999999998 110.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -55.55 -39.67 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 72.239999999999995 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.661 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 p -66.08 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.129999999999995 110.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.74 HD21 HG12 ' A' ' 73' ' ' VAL . 8.9 mt -53.03 -46.41 68.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 65.430000000000007 109.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' CD ' ' A' ' 65' ' ' LYS . 4.1 tp10 -64.29 -18.23 64.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.549999999999997 110.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -72.75 -5.37 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 52.219999999999999 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.6 mt -119.98 51.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.420000000000002 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 62' ' ' GLU . 5.9 mmmt -50.11 -24.64 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.269 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.49 -44.15 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 72.310000000000002 109.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 64' ' ' LEU . 11.1 m-20 -72.26 107.4 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.019999999999996 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -72.72 -5.25 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.450000000000003 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.6 t -78.37 -40.22 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 73.439999999999998 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -61.53 -57.98 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 75.430000000000007 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -50.21 -28.09 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 73.420000000000002 110.331 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.785 HD22 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.15 -29.65 20.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.450000000000003 109.325 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 42' ' ' LEU . 3.4 t -79.69 -6.71 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.140000000000001 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.076 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -82.05 -36.65 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 70.140000000000001 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.501 HH21 HD23 ' A' ' 72' ' ' LEU . 5.8 ptt-85 -99.03 -5.37 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.5 tp-100 -86.82 -48.46 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 54.439999999999998 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 8' ' ' LEU . 26.5 m-90 -109.47 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 74.129999999999995 108.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.076 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.89 -28.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 61.32 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.06 18.47 74.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 40.5 110.963 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 74' ' ' ALA . 50.1 t -44.63 168.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 73.120000000000005 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.526 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -81.68 24.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 62.240000000000002 109.282 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.456 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 70.9 p 38.26 50.49 1.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.219999999999999 110.007 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.4 p -48.18 -22.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 71.030000000000001 110.393 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -86.84 -163.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 75.430000000000007 110.334 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.16 157.68 36.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 72.140000000000001 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 82.32 2.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 70.239999999999995 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -144.86 117.17 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 73.319999999999993 110.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 10.5 mt-10 -60.03 141.92 89.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 52.229999999999997 110.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 171.89 17.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 74.040000000000006 111.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.09 15.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 74.409999999999997 111.009 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD2' ' NH1' ' A' ' 98' ' ' ARG . 94.3 m-20 -104.5 26.76 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.430000000000007 109.24 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -42.35 -41.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 65.25 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.9 m -104.55 -40.84 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 62.119999999999997 109.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -43.16 -54.6 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 74.439999999999998 108.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -56.3 -39.99 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 63.210000000000001 109.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG22 ' HG ' ' A' ' 8' ' ' LEU . 40.8 t -64.01 -23.26 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 75.439999999999998 109.294 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.5 -40.63 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.420000000000002 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.446 ' NH1' ' OD2' ' A' ' 91' ' ' ASP . 13.5 mtt180 -71.18 -23.12 61.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 65.430000000000007 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.689 ' CD2' HD11 ' A' ' 43' ' ' LEU . 6.8 tt -74.4 -52.56 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.209999999999994 109.284 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m-85 -62.49 -28.11 69.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 63.439999999999998 111.026 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -53.67 -20.98 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 71.549999999999997 109.579 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.1 mt -97.13 -25.86 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.09 . . . . 75.109999999999999 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 106' ' ' GLU . 85.0 mt -70.52 -16.17 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 71.450000000000003 109.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.31 -1.81 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 74.099999999999994 109.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.54 -18.49 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 61.140000000000001 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.1 pt-20 -107.21 -6.04 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.030000000000001 110.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 74.45 24.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 109.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.651 HD21 ' NZ ' ' A' ' 22' ' ' LYS . 19.0 mt -80.56 -27.21 37.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 74.510000000000005 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.67 ' SG ' HD23 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -157.76 143.17 12.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 75.540000000000006 108.313 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.03 148.18 34.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 63.100000000000001 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.57 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -50.35 -22.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 63.130000000000003 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' ALA . 3.5 m -38.76 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 43.100000000000001 110.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.67 HD23 ' SG ' ' A' ' 109' ' ' CYS . 2.0 mm? -70.13 -54.48 12.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 ttp180 -38.52 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 65.450000000000003 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.4 OUTLIER -78.81 -69.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.25 109.31 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.2 t -39.41 -47.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.010000000000005 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -55.75 -63.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 74.310000000000002 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.8 m-85 -43.26 -43.85 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 61.32 110.962 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -53.06 -49.84 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 54.140000000000001 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.7 -16.94 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.120000000000005 110.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.492 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.92 -17.93 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 75.439999999999998 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.693 HG13 ' OE1' ' A' ' 137' ' ' GLN . 13.5 t -85.04 -31.24 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 75.439999999999998 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.3 OUTLIER -83.54 -29.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 73.510000000000005 110.311 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.548 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.8 t -68.61 -38.33 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 110.423 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.824 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -78.28 -32.91 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.510000000000005 109.366 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.6 t -68.4 -48.21 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 72.109999999999999 110.001 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -55.56 -52.89 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 61.200000000000003 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.433 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.0 OUTLIER -86.91 3.17 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 71.299999999999997 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.2 m-20 40.1 47.97 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 71.239999999999995 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 26.7 t0 -49.39 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.340000000000003 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.51 -2.57 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.140000000000001 109.624 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.436 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -114.36 5.83 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 63.420000000000002 110.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -53.2 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.209999999999994 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.803 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.9 -31.75 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 62.340000000000003 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.96 -35.89 80.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 65.230000000000004 110.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.4 tp -74.1 -39.05 63.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.549999999999997 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.693 ' OE1' HG13 ' A' ' 122' ' ' VAL . 47.1 mm-40 -62.68 -17.18 60.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 75.310000000000002 110.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -106.18 -18.02 14.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.200000000000003 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 0.3 OUTLIER -84.95 -59.81 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.5 110.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -51.77 -20.82 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.040000000000006 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 40.3 mtm180 -86.5 -58.72 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 65.319999999999993 110.36 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -50.68 -22.58 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 64.310000000000002 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.7 mmp_? -83.6 -78.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.439999999999998 110.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.52 -55.57 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.209999999999994 108.34 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.28 65.28 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 61.520000000000003 111.011 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.33 -169.21 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.109 . . . . 72.329999999999998 108.004 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.88 61.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.349999999999994 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.2 tt -70.4 -22.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.32 -24.74 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 33.210000000000001 109.309 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 98.82 -3.31 58.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 51.119999999999997 111.035 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.33 164.06 1.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 72.030000000000001 109.325 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 70.340000000000003 111.024 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.79 24.85 14.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 61.549999999999997 111.014 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 m 57.24 34.44 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 63.43 109.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 4.7 mm -46.23 153.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 64.319999999999993 109.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 110.291 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 2.1 m-70 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.594 -0.521 . . . . 74.209999999999994 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt -97.58 85.89 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 71.040000000000006 111.013 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.87 100.92 9.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.319999999999993 109.335 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -96.78 24.42 6.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 71.439999999999998 108.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.1 m -121.5 142.46 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 54.140000000000001 110.424 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.79 -88.51 1.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 45.140000000000001 110.95 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.559 1.82 . . . . 75.030000000000001 110.993 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t -179.77 170.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.219999999999999 110.047 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 1.021 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -61.01 -50.6 84.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.519999999999996 109.348 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.96 -34.87 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 71.049999999999997 111.057 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -43.92 -47.2 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.329999999999998 109.993 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.917 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.49 -38.13 83.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 75.310000000000002 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -66.02 -35.94 81.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.150000000000006 111.005 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.06 -30.47 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.409999999999997 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 11' ' ' ALA . 10.6 mt -75.16 -19.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.109999999999999 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -71.22 -57.18 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.25 109.328 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -65.06 -10.8 48.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 71.420000000000002 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.02 19.34 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 74.209999999999994 109.324 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.881 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.93 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 72.109999999999999 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.52 136.01 2.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 61.329999999999998 110.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 38.2 tp60 -37.76 -55.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 74.400000000000006 110.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -38.84 87.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 65.230000000000004 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.881 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 5.1 tptm -46.21 -31.47 2.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 54.399999999999999 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.96 -68.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 73.200000000000003 109.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' HD13 ' A' ' 51' ' ' LEU . 94.1 mt -39.91 -58.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.310000000000002 109.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.5 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 71.230000000000004 111.008 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 10.8 mt -39.15 -57.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 73.049999999999997 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -43.98 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.409999999999997 109.306 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 40.3 m80 -54.58 -20.02 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 74.030000000000001 109.576 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HG3' HD23 ' A' ' 30' ' ' LEU . 1.2 tptm -84.66 -27.53 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 71.140000000000001 109.291 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 40' ' ' GLN . 4.2 mt -81.34 -24.81 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 75.439999999999998 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 27.6 mmtt -38.34 -32.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 61.539999999999999 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -102.81 107.07 53.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 72.209999999999994 110.422 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.792 . . . . 72.530000000000001 111.055 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -83.39 167.78 26.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.229999999999997 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.65 2.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 71.329999999999998 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.02 36.67 51.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 72.400000000000006 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 126.19 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 73.120000000000005 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -125.84 -0.08 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.230000000000004 110.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.26 -27.38 7.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 72.319999999999993 111.025 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.599 ' CG ' HD22 ' A' ' 30' ' ' LEU . 4.6 tt0 -79.98 -54.89 5.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 71.430000000000007 110.275 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.867 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.8 t0 -55.07 -40.57 70.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.239999999999995 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.679 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -60.65 -52.88 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 72.140000000000001 109.311 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 15' ' ' LEU . 15.0 tp -57.53 -29.04 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.319999999999993 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.594 ' HA ' HD12 ' A' ' 30' ' ' LEU . 7.9 t-160 -57.65 -32.87 67.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 72.230000000000004 109.598 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -81.19 -27.88 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 71.549999999999997 109.234 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.616 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 57.8 mtp -85.57 -8.26 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 63.210000000000001 110.955 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 43' ' ' LEU . 89.8 t -94.37 -51.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.299999999999997 109.276 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -42.11 -45.81 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.439999999999998 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.3 mt -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 54.409999999999997 109.287 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -40.21 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 74.019999999999996 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.675 HD11 ' HE2' ' A' ' 27' ' ' LYS . 0.4 OUTLIER -95.18 -42.4 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.109999999999999 109.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.91 16.34 7.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 35.020000000000003 111.011 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.54 ' OE1' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -118.05 71.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 60.149999999999999 110.298 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.03 -17.64 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 74.239999999999995 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.0 -35.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.087 . . . . 75.519999999999996 110.438 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' ILE . 16.6 mp0 -87.48 -44.41 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.310000000000002 110.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -43.63 -35.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.150000000000006 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -69.05 -44.29 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.230000000000004 110.279 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.5 mp -61.38 -55.11 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.430000000000007 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -48.28 68.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 72.25 110.027 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.9 mt -54.71 -48.48 72.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 74.209999999999994 109.328 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -65.06 -15.76 62.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.019999999999996 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.19 7.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 63.530000000000001 109.259 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.867 HD21 ' CB ' ' A' ' 41' ' ' ASP . 28.3 mt -125.07 54.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 60.420000000000002 109.264 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' C ' HH21 ' A' ' 71' ' ' ARG . 17.0 mtpp -64.9 -12.4 48.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.439999999999998 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.18 17.21 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.25 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' NE ' ' A' ' 71' ' ' ARG . 3.5 t0 -148.19 136.16 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 60.340000000000003 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.57 -28.99 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 34.420000000000002 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 95' ' ' ALA . 4.4 m -62.41 -34.34 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 72.310000000000002 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -66.78 -7.9 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 64.420000000000002 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.506 HH21 ' C ' ' A' ' 65' ' ' LYS . 6.0 mmt85 -98.47 -32.74 11.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 64.140000000000001 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.782 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -84.08 -29.16 27.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 73.120000000000005 109.271 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.68 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 28.2 t -76.58 -6.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.219999999999999 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.019 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.22 -38.17 17.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.200000000000003 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.782 ' NH2' HD23 ' A' ' 72' ' ' LEU . 5.2 ptt-85 -97.93 -6.22 32.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.129999999999995 110.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.1 tp-100 -88.77 -45.02 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 65.150000000000006 110.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 1.021 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.8 m-90 -109.11 -59.65 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 73.25 108.03 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.46 -31.94 47.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 73.120000000000005 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 61.8 42.51 99.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 61.109999999999999 110.978 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.61 HG23 ' N ' ' A' ' 81' ' ' ASP . 19.4 m -61.16 -138.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 74.120000000000005 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.61 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.7 t0 -113.73 32.77 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 60.450000000000003 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 81' ' ' ASP . 33.5 p 35.38 43.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 73.25 109.99 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -43.71 -26.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 61.310000000000002 110.424 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 5.9 mm-40 -90.71 -162.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 110.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -94.5 146.93 32.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 55.329999999999998 109.286 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.94 4.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 64.439999999999998 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -135.29 167.54 20.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 71.329999999999998 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.3 OUTLIER -89.21 141.32 29.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 71.319999999999993 110.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.575 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 173.75 13.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 55.399999999999999 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.11 18.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 62.020000000000003 111.007 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -120.16 27.31 8.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 63.149999999999999 109.301 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -49.33 -43.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.219999999999999 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -104.66 -33.1 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 74.439999999999998 110.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.023 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.0 t90 -55.58 -59.37 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 75.109999999999999 108.061 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.802 ' HB2' HG11 ' A' ' 69' ' ' VAL . . . -42.81 -48.93 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.239999999999995 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 96' ' ' VAL . 21.2 t -49.02 -41.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.120000000000005 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -71.83 -26.92 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 73.430000000000007 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 7.0 mmt180 -79.72 -26.68 40.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.430000000000007 110.293 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.716 ' C ' HD23 ' A' ' 99' ' ' LEU . 3.3 tt -83.65 -55.39 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.239999999999995 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.917 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.5 m-85 -58.3 -19.87 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.140000000000001 111.021 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -67.65 -24.53 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 62.43 109.583 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -93.81 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 74.239999999999995 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 108' ' ' LEU . 56.7 mt -62.87 -21.78 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 62.530000000000001 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.54 -13.02 61.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 70.099999999999994 109.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.67 -19.7 16.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.120000000000005 110.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -91.65 -5.69 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 54.009999999999998 110.317 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp 68.02 42.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 53.25 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 103' ' ' LEU . 55.2 mt -105.92 -30.01 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 73.430000000000007 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.1 p -149.01 148.95 28.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 44.439999999999998 108.271 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.41 38.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 44.219999999999999 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.9 -21.23 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 71.129999999999995 109.278 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.2 p -54.78 -44.21 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 63.520000000000003 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . 13.1 mt -66.69 -31.92 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 65.099999999999994 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 1.7 ttp180 -67.17 -30.45 70.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 63.340000000000003 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.11 -48.22 11.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 74.409999999999997 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 112' ' ' SER . 15.9 t -57.54 -36.79 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.510000000000005 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.21 79.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 73.530000000000001 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.877 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.3 m-85 -69.3 -41.37 76.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.519999999999996 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.9 mt-30 -56.09 -45.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 62.030000000000001 110.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.94 -12.8 57.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.420000000000002 110.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -93.74 -33.18 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 73.349999999999994 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -77.55 -29.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.129999999999995 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -32.89 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 64.340000000000003 110.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -76.26 -34.95 59.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 64.219999999999999 110.392 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.568 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -82.91 -37.89 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 75.219999999999999 109.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 46.3 t -70.42 -33.76 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.109999999999999 110.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.6 t -68.68 -40.47 80.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 60.240000000000002 110.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.444 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.7 ptt85 -97.89 2.89 49.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.340000000000003 110.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.0 m-20 45.74 50.66 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.120000000000005 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 19.1 t0 -54.98 174.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 70.230000000000004 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -93.76 -1.74 54.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 72.430000000000007 109.556 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -1.3 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.129999999999995 110.248 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 125' ' ' LEU . 3.0 tm? -47.23 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 43.450000000000003 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -46.39 -37.37 8.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 64.439999999999998 111.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.36 -34.89 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 65.5 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.8 tp -72.21 -37.55 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 74.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 44.9 mm-40 -64.87 -14.06 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.409999999999997 110.329 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -103.9 -23.91 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.409999999999997 109.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -76.19 -61.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.349999999999994 110.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -51.34 -21.41 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 55.549999999999997 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 145' ' ' GLY . 14.5 mtm180 -86.05 -62.78 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 62.520000000000003 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -49.15 -24.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 73.25 109.258 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.07 -79.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 74.219999999999999 110.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.98 -56.12 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.129999999999995 108.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.17 70.83 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 53.329999999999998 111.049 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.993 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.56 -169.58 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 73.450000000000003 108.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . 0.47 ' OD1' ' CB ' ' A' ' 151' ' ' ASP . 2.2 m-20 -114.03 61.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.329999999999998 109.266 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.993 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.7 tt -71.46 -34.79 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 50.420000000000002 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.39 -29.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 63.409999999999997 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 124.43 -4.15 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 61.530000000000001 110.995 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.47 ' CB ' ' OD1' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -49.95 165.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 75.099999999999994 109.306 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.479 1.778 . . . . 44.310000000000002 110.961 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.97 14.1 45.38 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 45.450000000000003 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.5 t -109.06 11.17 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 70.239999999999995 109.94 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 156' ' ' ARG . 40.5 mt -117.09 168.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.430000000000007 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.526 ' N ' HG22 ' A' ' 155' ' ' ILE . 4.4 ptm180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.209999999999994 110.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.586 -0.524 . . . . 73.25 109.586 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.6 36.08 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.310000000000002 111.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.44 128.92 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 64.420000000000002 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.21 72.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 44.399999999999999 108.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 t -69.06 177.57 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 45.119999999999997 110.433 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.75 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 65.109999999999999 111.041 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.837 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.219999999999999 111.011 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 178.18 152.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 60.130000000000003 109.973 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.635 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -47.65 -50.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 75.200000000000003 109.271 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.91 -25.68 11.83 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 73.219999999999999 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -51.13 -45.26 61.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 71.409999999999997 110.031 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 62.409999999999997 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.72 -33.3 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 63.25 110.957 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.04 -48.83 61.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 73.230000000000004 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 109' ' ' CYS . 5.9 mt -62.64 -24.18 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 70.420000000000002 109.292 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.871 HD11 HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -61.18 -49.47 77.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.230000000000004 109.313 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 -3.22 56.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 71.129999999999995 110.975 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.69 15.99 21.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 64.420000000000002 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.794 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -93.41 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 62.210000000000001 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.9 134.65 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.535 1.147 . . . . 72.140000000000001 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.1 tp60 -37.88 -55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 74.140000000000001 110.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -38.58 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 63.409999999999997 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.794 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -48.37 -30.43 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 63.240000000000002 109.271 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -75.7 -67.51 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 71.319999999999993 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.409 ' C ' ' O ' ' A' ' 23' ' ' LEU . 65.7 mt -39.4 -53.21 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 62.030000000000001 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -55.72 -73.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 65.120000000000005 110.978 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 mt -37.59 -61.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.430000000000007 109.307 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.876 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.03 -70.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 61.450000000000003 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.586 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 40.1 m80 -52.76 -20.26 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.310000000000002 109.617 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.906 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.77 -34.2 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 72.109999999999999 109.276 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.906 HD23 ' HG3' ' A' ' 29' ' ' LYS . 3.7 mt -71.07 -17.8 62.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.109999999999999 109.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mmtt -39.41 -30.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 71.019999999999996 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' NH1' ' A' ' 34' ' ' ARG . 3.1 m -112.46 95.45 31.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 22.100000000000001 110.407 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 164.01 34.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.513 1.796 . . . . 72.540000000000006 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.632 ' NH1' HG22 ' A' ' 32' ' ' THR . 4.5 mmm180 -102.08 161.31 23.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.439999999999998 110.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 75.010000000000005 111.015 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.29 12.57 35.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.089 . . . . 53.420000000000002 110.97 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -86.31 128.48 34.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 61.329999999999998 108.292 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -128.22 2.73 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.439999999999998 110.33 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -101.08 -27.0 7.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 61.310000000000002 111.023 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 8.0 tt0 -83.06 -60.17 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 55.200000000000003 110.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.754 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.5 t0 -50.24 -43.21 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.129999999999995 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG21 ' A' ' 73' ' ' VAL . 21.6 tp -59.72 -56.12 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 73.030000000000001 109.27 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 tp -54.46 -30.69 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 74.200000000000003 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.752 ' HA ' HD12 ' A' ' 30' ' ' LEU . 2.3 t60 -55.6 -32.69 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 109.617 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -82.33 -23.66 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 64.239999999999995 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.619 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 74.6 mtp -87.25 -17.96 31.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 64.299999999999997 111.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 43' ' ' LEU . 21.2 t -86.49 -49.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 61.200000000000003 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -42.79 -39.39 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.400000000000006 109.3 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.578 HD23 ' N ' ' A' ' 49' ' ' LEU . 2.5 mt -61.25 -47.33 86.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 72.340000000000003 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.678 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 2.2 mmmp? -42.0 -28.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 64.450000000000003 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 27' ' ' LYS . 2.1 mt -93.13 -47.34 7.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 52.520000000000003 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.75 8.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 61.210000000000001 111.035 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.0 pt20 -111.17 85.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 75.310000000000002 110.256 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -80.68 -15.53 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 64.400000000000006 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -37.16 -35.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 54.229999999999997 110.442 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.4 mp0 -86.68 -43.83 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.239999999999995 110.337 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.83 -37.6 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 63.450000000000003 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -62.76 -42.83 99.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.299999999999997 110.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.1 mp -65.33 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.510000000000005 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -42.84 -51.68 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.299999999999997 109.993 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 70' ' ' ALA . 15.6 mt -54.19 -48.95 70.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 73.519999999999996 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -64.11 -12.25 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.140000000000001 110.27 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -87.22 11.34 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 74.040000000000006 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.754 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.4 mt -135.67 54.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.540000000000006 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -64.87 -13.37 56.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 71.239999999999995 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.68 52.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 53.420000000000002 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.37 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 61.439999999999998 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.05 -1.79 58.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 71.519999999999996 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.0 t -88.91 -38.52 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 73.129999999999995 109.258 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.848 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.18 -36.81 85.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 53.549999999999997 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -76.29 -23.91 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.109999999999999 110.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -91.78 -20.76 21.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 72.019999999999996 109.284 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.814 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 6.6 t -85.93 -6.89 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 73.200000000000003 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.015 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.95 -35.04 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.310000000000002 109.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.832 ' NH2' HD23 ' A' ' 72' ' ' LEU . 9.3 ptt-85 -98.55 -6.82 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 74.299999999999997 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp-100 -88.79 -44.79 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.519999999999996 110.356 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.814 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.5 m-90 -108.33 -59.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.030000000000001 107.987 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.015 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.79 -45.13 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 70.109999999999999 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 77.12 42.47 19.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 73.420000000000002 111.036 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.661 HG23 ' H ' ' A' ' 82' ' ' SER . 26.5 m -61.28 -139.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 71.439999999999998 109.26 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.532 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.2 t0 -103.85 17.61 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 75.450000000000003 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.661 ' H ' HG23 ' A' ' 80' ' ' VAL . 49.1 p 37.08 59.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 73.230000000000004 109.98 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 t -45.86 -24.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.082 . . . . 71.450000000000003 110.368 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' SER . 4.6 mt-10 -95.62 -176.65 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.319999999999993 110.235 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' CB ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -98.02 174.68 3.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.297 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 85' ' ' ASP . 18.4 Cg_endo -74.98 82.55 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 71.239999999999995 111.001 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.54 175.3 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 72.450000000000003 110.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 mt-10 -114.79 141.74 27.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 64.25 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 163.27 35.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 54.240000000000002 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 73.430000000000007 110.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -117.5 27.44 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.329999999999998 109.268 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.25 -38.32 76.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.439999999999998 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.7 t -101.32 -20.42 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.340000000000003 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.043 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.3 t90 -76.94 -63.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.010000000000005 108.011 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.75 -52.88 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 53.43 109.235 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 97' ' ' ALA . 9.0 p -61.37 -53.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.120000000000005 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.553 ' N ' HG13 ' A' ' 96' ' ' VAL . . . -50.87 -26.7 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 71.200000000000003 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.611 ' NE ' ' CD1' ' A' ' 94' ' ' TRP . 16.2 mtt180 -88.01 -31.77 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 64.230000000000004 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.886 HD21 HD13 ' A' ' 43' ' ' LEU . 3.8 tt -66.57 -44.4 82.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.17 -24.46 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.120000000000005 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.5 t60 -60.71 -26.75 67.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 72.239999999999995 109.621 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.3 mt -89.24 -35.91 15.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 62.109999999999999 109.251 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.2 -19.99 65.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.209999999999994 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.32 -13.41 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 72.450000000000003 109.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.38 -17.87 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.319999999999993 110.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.1 0.65 51.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 73.030000000000001 110.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 32.42 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.319999999999993 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.73 -32.53 11.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.319999999999993 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.3 m -140.87 145.07 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 71.219999999999999 108.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.72 42.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 52.149999999999999 110.989 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.17 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 62.119999999999997 109.347 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 116' ' ' VAL . 17.5 p -54.95 -34.31 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 73.209999999999994 110.014 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.837 HD12 ' HB3' ' A' ' 6' ' ' PRO . 3.1 mm? -76.24 -36.87 58.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 61.43 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.6 ttp180 -62.2 -24.91 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.340000000000003 110.268 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.613 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -83.58 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 70.219999999999999 109.315 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' SER . 40.2 t -50.03 -38.94 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 71.040000000000006 109.278 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -62.03 -61.93 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.020000000000003 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.815 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -46.2 -46.98 17.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 64.329999999999998 111.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' HG22 ' A' ' 122' ' ' VAL . 85.2 mt-30 -49.94 -56.68 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.230000000000004 110.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.9 -14.36 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 54.32 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -90.48 -34.63 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.439999999999998 109.372 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -75.59 -28.33 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.140000000000001 109.272 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -78.58 -29.0 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.209999999999994 110.278 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -73.72 -45.35 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.329999999999998 110.41 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.605 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -75.48 -30.84 60.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 62.310000000000002 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.573 ' OG ' HD21 ' A' ' 133' ' ' LEU . 28.8 m -73.33 -47.98 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 74.239999999999995 109.983 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.099999999999994 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.473 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -87.9 -7.36 57.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.230000000000004 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 53.23 41.12 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 44.149999999999999 109.252 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.495 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 24.6 t0 -54.61 179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 73.439999999999998 109.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -98.25 -4.41 35.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 63.219999999999999 109.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.4 OUTLIER -109.72 10.03 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.150000000000006 110.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.7 tm? -61.1 -68.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.049999999999997 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.19 -33.6 15.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 32.520000000000003 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.68 -35.01 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 63.119999999999997 110.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 94' ' ' TRP . 36.4 tp -70.75 -41.5 71.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 71.510000000000005 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.715 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 41.5 mm-40 -62.63 -13.77 35.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 70.519999999999996 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.48 -5.18 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.230000000000004 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.29 -46.4 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 110.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.67 -16.24 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.430000000000007 109.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 145' ' ' GLY . 45.6 mtm180 -91.67 -58.67 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 73.319999999999993 110.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.65 -22.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 63.299999999999997 109.311 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 14.0 mmp_? -85.52 -78.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 64.140000000000001 110.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.59 -55.48 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 63.119999999999997 108.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.78 67.82 0.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 62.5 110.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.03 -170.79 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 74.150000000000006 107.99 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.74 61.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 71.430000000000007 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.917 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.8 tt -68.14 -34.51 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 72.019999999999996 109.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.715 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -42.57 -30.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 71.049999999999997 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 115.02 -9.66 20.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 44.420000000000002 111.003 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.59 152.32 3.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 70.400000000000006 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.71 10.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 72.530000000000001 111.057 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 87.43 -3.21 86.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 63.299999999999997 111.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t 68.95 36.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 72.030000000000001 109.964 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 7.5 pt -111.9 130.24 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 73.239999999999995 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 72.319999999999993 110.291 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.617 -0.512 . . . . 60.130000000000003 109.617 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtm -56.23 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 65.140000000000001 111.049 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.71 113.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.200000000000003 109.326 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t 74.69 37.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.299999999999997 108.321 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -87.21 133.83 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 71.040000000000006 110.401 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.41 -88.27 1.67 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 111.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -74.99 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 62.130000000000003 111.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t 179.85 174.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 61.049999999999997 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.653 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -68.93 -50.84 20.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 63.439999999999998 109.318 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.93 -30.01 7.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 62.310000000000002 110.981 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.42 ' HG ' ' HH ' ' A' ' 100' ' ' TYR . 38.1 t -47.17 -48.79 23.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 70.310000000000002 110.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.909 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.03 -29.6 67.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.109999999999999 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -77.72 -35.07 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 73.340000000000003 111.013 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -70.36 -38.36 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.510000000000005 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.97 -20.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 64.219999999999999 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -69.35 -60.99 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 70.230000000000004 109.321 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.12 -12.2 36.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 74.310000000000002 111.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.91 17.44 20.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 62.43 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -102.93 -75.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 72.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.793 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.35 137.93 2.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 75.329999999999998 110.976 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -43.22 -48.09 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 73.329999999999998 110.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.15 -28.19 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 72.099999999999994 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.8 tptt -58.99 -25.96 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 73.219999999999999 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.76 -54.68 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 72.010000000000005 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 51' ' ' LEU . 75.7 mt -48.62 -41.38 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.439999999999998 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -60.79 -78.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 75.209999999999994 111.012 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 56.0 mt -39.84 -38.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.409999999999997 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.442 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.5 -57.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 74.109999999999999 109.267 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.429 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 40.8 m80 -62.44 -13.64 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.340000000000003 109.592 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -84.94 -40.42 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 62.130000000000003 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 HD23 ' A' ' 43' ' ' LEU . 3.3 mt -68.03 -22.0 64.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 70.239999999999995 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 34.5 mmtt -39.34 -31.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 62.420000000000002 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.2 m -115.45 92.07 31.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 73.319999999999993 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.86 42.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 75.019999999999996 111.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.19 158.01 36.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.200000000000003 110.258 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 75.450000000000003 111.035 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.3 22.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 71.549999999999997 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 129.52 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 73.019999999999996 108.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -127.64 1.57 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 65.409999999999997 110.301 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -102.78 -28.01 6.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 50.240000000000002 110.997 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.618 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 75.549999999999997 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.6 t0 -47.4 -40.24 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.25 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.06 -51.99 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 71.200000000000003 109.342 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 15' ' ' LEU . 7.0 tp -58.8 -32.83 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 72.519999999999996 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -59.41 -21.96 60.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.299999999999997 109.64 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.7 -19.96 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.030000000000001 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.614 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 30.9 mtp -98.74 -11.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 54.520000000000003 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.4 t -86.0 -53.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.540000000000006 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . 1.1 mm? -40.15 -49.17 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 75.209999999999994 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.9 mt -50.73 -53.44 31.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 72.319999999999993 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -41.07 -29.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.099999999999994 109.288 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.776 HD22 HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -88.02 -46.03 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.219999999999999 109.309 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 119.23 8.51 9.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.466 1.104 . . . . 42.539999999999999 111.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -121.36 83.02 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 73.120000000000005 110.264 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -73.34 -19.43 61.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.239999999999995 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.72 -37.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 51.100000000000001 110.385 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -82.82 -43.86 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 72.129999999999995 110.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . . . -47.54 -38.21 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 55.229999999999997 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -61.45 -44.62 96.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 64.349999999999994 110.33 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -60.14 -58.81 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.349999999999994 109.296 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -50.59 -45.2 57.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.219999999999999 109.993 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.6 mt -55.22 -43.87 74.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 73.329999999999998 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.05 -19.15 64.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 73.239999999999995 110.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.31 -5.26 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 63.049999999999997 109.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.0 mt -117.93 46.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 74.530000000000001 109.335 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.37 -23.12 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 72.129999999999995 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.76 -59.37 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.684 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.4 133.62 56.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 109.291 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.59 -12.39 37.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 73.209999999999994 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 95' ' ' ALA . 12.4 t -74.71 -23.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.340000000000003 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.871 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.97 -57.8 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 13.199999999999999 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.4 mpp_? -52.27 -52.61 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 63.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 72' ' ' LEU . 1.9 tm? -59.56 -40.57 87.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 62.350000000000001 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.997 HG21 HD11 ' A' ' 42' ' ' LEU . 24.1 t -71.9 -4.59 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 70.25 109.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.853 ' HB1' HG21 ' A' ' 80' ' ' VAL . . . -83.92 -52.45 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 74.340000000000003 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.79 HH21 ' HA ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -88.43 -6.8 57.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 72.430000000000007 110.262 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -86.91 -42.2 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 74.140000000000001 110.348 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.792 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.3 m-90 -116.97 -59.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 72.329999999999998 107.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -20.37 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 71.340000000000003 109.328 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 62.3 26.11 67.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 72.430000000000007 111.035 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.853 HG21 ' HB1' ' A' ' 74' ' ' ALA . 77.1 t -44.98 169.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.310000000000002 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.572 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -83.35 19.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 71.510000000000005 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 34.7 m -76.22 51.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 63.32 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -44.54 -22.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.310000000000002 110.417 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' THR . 19.8 pt-20 -38.28 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.409999999999997 110.272 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -58.49 125.16 75.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 62.25 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.79 ' HA ' HH21 ' A' ' 75' ' ' ARG . 18.4 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 74.109999999999999 111.002 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -58.03 116.49 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.140000000000001 110.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -54.1 129.4 58.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 71.129999999999995 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.5 Cg_endo -74.97 173.11 15.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 73.150000000000006 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 75.019999999999996 111.02 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 37.4 m-20 -119.86 23.21 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 72.209999999999994 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.424 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -45.98 -37.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 74.329999999999998 109.338 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -105.51 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.934 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.2 t90 -44.8 -55.46 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.439999999999998 108.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.916 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -49.12 -45.41 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.230000000000004 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.653 HG22 ' HG ' ' A' ' 8' ' ' LEU . 30.9 t -58.86 -39.65 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.129999999999995 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.42 -63.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 52.25 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 17.3 mtt180 -50.28 -31.62 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.32 110.316 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.714 HD11 HD13 ' A' ' 43' ' ' LEU . 3.0 tp -67.23 -51.89 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.420000000000002 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.909 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-85 -70.09 -19.01 63.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 71.540000000000006 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.414 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 2.0 t60 -59.95 -24.24 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 55.420000000000002 109.585 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -97.33 -30.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 63.43 109.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 ' HB1' ' A' ' 11' ' ' ALA . 82.4 mt -64.26 -17.65 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 74.329999999999998 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.668 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -79.28 -11.61 59.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 70.209999999999994 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.67 -20.14 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 64.299999999999997 110.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.476 ' OE2' HD21 ' A' ' 26' ' ' LEU . 13.3 mm-40 -85.0 -19.23 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.120000000000005 110.284 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp 77.52 26.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 51.43 109.321 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.1 mt -90.63 -34.96 15.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 64.230000000000004 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 149.27 48.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.530000000000001 108.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.75 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 154.61 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 73.120000000000005 110.961 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.39 44.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.109999999999999 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.7 m -58.07 -26.46 62.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 42.210000000000001 109.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.75 HD23 ' HD2' ' A' ' 110' ' ' PRO . 3.5 mm? -80.71 -61.57 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.229999999999997 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.668 HH21 ' CB ' ' A' ' 104' ' ' ALA . 4.9 ttm180 -42.07 -34.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 71.299999999999997 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -68.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 75.129999999999995 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 t -46.47 -30.6 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 65.510000000000005 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -67.05 -49.46 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.119999999999997 109.28 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.547 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.6 m-85 -58.22 -48.97 78.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 110.977 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' VAL . 69.4 mt-30 -47.93 -60.63 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 72.219999999999999 110.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.41 -23.93 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 74.120000000000005 110.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -82.08 -30.77 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 42.520000000000003 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.669 HG22 HE22 ' A' ' 137' ' ' GLN . 36.1 t -64.2 -31.28 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 60.020000000000003 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' LEU . 20.3 mmt180 -75.47 -62.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 64.129999999999995 110.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.657 HG22 HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -37.95 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 72.340000000000003 110.377 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.921 HD22 HD22 ' A' ' 136' ' ' LEU . 4.7 mp -88.13 -61.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 71.120000000000005 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 46.9 t -38.43 -48.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.319999999999993 110.041 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.6 p -52.72 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 72.230000000000004 110.005 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.449 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.06 5.54 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.439999999999998 110.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.9 t0 41.15 37.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 60.100000000000001 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.449 ' CG ' HH21 ' A' ' 128' ' ' ARG . 16.0 t0 -40.32 157.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 63.140000000000001 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -78.43 -0.07 27.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.420000000000002 109.62 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.41 -1.66 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 75.319999999999993 110.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -49.66 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 72.140000000000001 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.76 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -45.12 -34.0 4.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 72.329999999999998 110.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.81 -39.36 80.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 65.439999999999998 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 94' ' ' TRP . 41.4 tp -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.340000000000003 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.669 HE22 HG22 ' A' ' 122' ' ' VAL . 55.4 mm-40 -69.69 -21.35 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 52.43 110.28 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.446 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 14.1 t70 -107.24 -2.72 20.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.230000000000004 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -99.64 -42.99 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.219999999999999 110.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.796 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -59.24 -16.66 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 64.140000000000001 109.32 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 145' ' ' GLY . 13.2 ptp180 -100.67 -44.54 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.519999999999996 110.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.507 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 10.7 t-20 -63.44 -10.15 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.310000000000002 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.07 -40.9 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 72.310000000000002 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -102.73 -57.57 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 73.340000000000003 108.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 108.88 70.27 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 72.430000000000007 110.973 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.916 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.6 OUTLIER -156.81 -174.77 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.997 -1.112 . . . . 74.439999999999998 107.997 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -109.16 64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.916 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.5 tt -67.14 -30.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 70.519999999999996 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.634 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -67.32 -10.24 48.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 72.439999999999998 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.57 14.85 42.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 51.039999999999999 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.48 151.19 78.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 74.239999999999995 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.34 19.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 74.329999999999998 111.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 80.1 3.13 89.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 41.25 111.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.4 t 62.36 46.53 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 64.519999999999996 110.042 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.4 pt -127.34 159.5 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 65.120000000000005 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.420000000000002 110.27 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.594 -0.521 . . . . 64.430000000000007 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mtp -76.61 131.55 38.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.409999999999997 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.7 165.42 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 65.319999999999993 109.346 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -121.82 37.39 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 71.219999999999999 108.327 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -130.55 150.25 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.010000000000005 110.403 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.53 -84.45 1.75 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 71.239999999999995 111.021 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.4 Cg_endo -75.03 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 73.230000000000004 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 179.9 177.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.219999999999999 110.014 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -69.2 -51.62 17.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 75.150000000000006 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -27.85 9.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 55.109999999999999 111.022 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -51.22 -41.06 60.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 73.439999999999998 110.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.839 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -66.96 -36.5 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 64.140000000000001 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -67.62 -35.65 79.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 75.420000000000002 111.007 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -68.01 -52.71 32.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.409999999999997 109.281 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.901 HD13 ' SG ' ' A' ' 109' ' ' CYS . 9.3 mt -61.03 -25.0 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 74.430000000000007 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -62.04 -50.61 71.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.140000000000001 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.508 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -73.97 -18.69 79.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 44.109999999999999 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -81.43 2.74 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 73.010000000000005 109.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.64 -69.27 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 71.439999999999998 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 169.92 137.15 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 71.030000000000001 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLY . 44.3 tp60 -37.62 -61.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 63.140000000000001 110.337 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.23 -34.53 77.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 63.299999999999997 109.265 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -50.28 -30.48 11.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 71.049999999999997 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.442 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.55 -56.33 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.109999999999999 109.292 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 51' ' ' LEU . 2.1 mm? -50.43 -53.29 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 65.450000000000003 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -51.38 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 75.299999999999997 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 40.8 mt -39.48 -47.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 60.530000000000001 109.343 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.02 -52.35 58.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 73.329999999999998 109.284 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.0 m80 -62.26 -13.45 28.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 73.209999999999994 109.618 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.88 -49.99 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.510000000000005 109.253 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.695 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.72 -13.06 40.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 30.0 mmtt -39.18 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.040000000000006 109.332 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.659 HG22 ' NH1' ' A' ' 34' ' ' ARG . 8.9 m -125.94 107.49 25.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.219999999999999 110.413 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.58 41.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 45.520000000000003 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.659 ' NH1' HG22 ' A' ' 32' ' ' THR . 3.4 mmm180 -97.95 161.09 26.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 74.329999999999998 110.336 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 71.439999999999998 110.986 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.8 7.93 37.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.118 . . . . 71.310000000000002 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.08 127.99 36.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.353 -0.981 . . . . 71.340000000000003 108.353 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -128.26 3.19 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.519999999999996 110.304 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.69 -25.04 8.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 62.039999999999999 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.695 ' CG ' HD22 ' A' ' 30' ' ' LEU . 28.4 tt0 -84.85 -54.82 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 71.420000000000002 110.337 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.799 ' HB3' HD11 ' A' ' 64' ' ' LEU . 17.9 t0 -56.81 -40.9 76.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 74.239999999999995 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 73' ' ' VAL . 18.4 tp -61.92 -53.18 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.450000000000003 109.266 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tp -58.4 -27.06 63.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 63.100000000000001 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.689 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.2 t-160 -63.49 -25.35 68.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 75.439999999999998 109.62 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.44 -14.17 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 52.229999999999997 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.641 ' SD ' HD11 ' A' ' 99' ' ' LEU . 55.7 mtp -98.61 -9.02 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 60.140000000000001 110.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 43' ' ' LEU . 55.2 t -95.44 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 73.530000000000001 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.457 ' HA ' HD13 ' A' ' 48' ' ' LEU . 0.8 OUTLIER -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.549999999999997 109.299 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.0 mp -53.2 -49.53 66.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.549999999999997 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.2 mmmt -45.99 -29.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 75.209999999999994 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 24' ' ' LEU . 1.8 mp -85.12 -50.77 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.430000000000007 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.64 0.49 6.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 72.329999999999998 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.47 84.99 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 72.230000000000004 110.299 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -75.95 -18.22 59.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 75.219999999999999 110.321 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -40.51 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.319999999999993 110.374 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.4 mm-40 -93.38 -44.41 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.439999999999998 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.03 -39.35 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 75.299999999999997 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 61' ' ' LEU . 74.9 mtp180 -64.22 -53.28 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 72.219999999999999 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.2 mp -49.3 -44.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 64.549999999999997 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.61 -46.14 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.530000000000001 109.98 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.903 HD22 ' O ' ' A' ' 70' ' ' ALA . 7.1 mt -60.04 -30.7 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 70.519999999999996 109.335 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.29 -15.22 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 64.230000000000004 110.247 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . . . -77.56 -1.01 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 73.329999999999998 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.799 HD11 ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -121.81 51.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 72.109999999999999 109.285 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 2.1 mmmm -48.49 -33.59 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.420000000000002 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.72 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 72.25 109.294 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 69' ' ' VAL . 3.4 t0 -69.19 134.61 49.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.209999999999994 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.17 -31.86 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.530000000000001 109.267 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 m -57.45 -21.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.329999999999998 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.903 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -65.59 -47.72 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 72.120000000000005 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -64.27 -55.29 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.319999999999993 110.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.726 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -54.11 -50.13 67.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 62.43 109.266 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 69' ' ' VAL . 42.1 t -58.84 -15.79 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.150000000000006 109.263 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.821 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -75.48 -63.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.109999999999999 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.726 HH21 HD23 ' A' ' 72' ' ' LEU . 5.9 ptt-85 -73.19 -6.21 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.409999999999997 110.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 tp60 -87.72 -44.02 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 71.329999999999998 110.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.0 m-90 -114.22 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.986 -1.116 . . . . 74.230000000000004 107.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -45.42 -26.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 73.420000000000002 109.262 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.45 18.24 78.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 45.409999999999997 110.974 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.6 t -42.92 165.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 44.450000000000003 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.52 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 3.8 t0 -82.23 46.11 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.140000000000001 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 81' ' ' ASP . 90.4 p 33.46 38.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 74.349999999999994 109.98 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASP . 18.6 p -43.99 -25.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.329999999999998 110.435 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 6.1 mt-10 -102.3 -164.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.439999999999998 110.262 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 157.36 35.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.340000000000003 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 54.030000000000001 111.057 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.52 118.55 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 75.129999999999995 110.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 1.3 mt-10 -60.18 145.26 85.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.409999999999997 110.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.97 161.27 39.11 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 63.340000000000003 111.007 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.581 1.832 . . . . 52.140000000000001 111.067 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.58 ' OD1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -116.01 20.95 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 54.229999999999997 109.279 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -39.31 -78.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.530000000000001 109.283 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.43 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.3 m -70.57 -45.8 64.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 75.329999999999998 109.944 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.137 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -39.8 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.948 -1.13 . . . . 73.219999999999999 107.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.33 -56.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 62.399999999999999 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 92' ' ' VAL . 24.2 t -47.16 -43.88 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.0 -31.29 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.120000000000005 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' ALA . 4.5 mtt180 -81.11 -18.71 45.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.510000000000005 110.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -82.32 -46.65 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.450000000000003 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.839 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.3 m-85 -67.36 -20.26 65.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 70.540000000000006 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.11 -31.72 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 75.030000000000001 109.565 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.5 mt -88.92 -29.04 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 72.400000000000006 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 43' ' ' LEU . 56.1 mt -63.99 -19.69 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 65.329999999999998 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.89 -10.04 59.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 44.420000000000002 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.67 -20.38 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.329999999999998 110.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.51 -16.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.400000000000006 110.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp 77.14 23.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.209999999999994 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.3 -36.55 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 54.539999999999999 109.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.901 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.3 m -138.39 148.94 61.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.140000000000001 108.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 72.219999999999999 111.037 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.72 -14.92 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.200000000000003 109.328 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.5 m -56.98 -37.88 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 45.219999999999999 109.995 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.474 HD13 ' HE2' ' A' ' 100' ' ' TYR . 70.2 mt -70.32 -44.75 67.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 72.219999999999999 109.336 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.558 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.4 ttp180 -47.98 -23.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 64.430000000000007 110.278 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.589 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -84.87 -70.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.5 109.247 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.433 HG12 ' HD2' ' A' ' 6' ' ' PRO . 18.3 t -40.82 -30.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 75.510000000000005 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -72.07 -55.3 7.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 54.520000000000003 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.71 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -54.45 -44.34 72.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 61.450000000000003 110.985 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.514 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 62.5 mt-30 -54.39 -47.61 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.239999999999995 110.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.83 -12.77 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 54.329999999999998 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 124' ' ' THR . . . -94.97 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 73.140000000000001 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -52.15 -28.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 60.210000000000001 109.285 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CD ' ' C ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -65.48 -35.13 79.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 71.420000000000002 110.254 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.568 HG23 HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -83.26 -33.29 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.040000000000006 110.382 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 3.6 mt -74.37 -30.13 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.200000000000003 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 t -78.63 -41.11 32.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 74.319999999999993 109.995 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -59.12 -40.03 84.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 54.409999999999997 110.009 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 3.2 ptt85 -101.86 4.74 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.409999999999997 110.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 130' ' ' ASP . 4.0 m-20 40.19 48.14 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 73.519999999999996 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -47.51 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 74.230000000000004 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -87.75 0.69 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 72.219999999999999 109.637 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -119.88 4.11 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 62.130000000000003 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 HE21 ' A' ' 137' ' ' GLN . 0.9 OUTLIER -54.11 -65.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 52.530000000000001 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.793 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -51.77 -31.45 30.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 74.349999999999994 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.87 -32.66 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 71.329999999999998 110.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.137 HD13 ' CE2' ' A' ' 94' ' ' TRP . 37.2 tp -73.23 -44.75 59.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.049999999999997 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.923 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 6.8 mm-40 -64.96 -13.74 58.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.329999999999998 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.3 -15.35 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 63.549999999999997 109.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -92.29 -58.44 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.549999999999997 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 61.229999999999997 109.291 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 145' ' ' GLY . 55.8 mtm180 -86.29 -59.47 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 75.109999999999999 110.299 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.72 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.4 OUTLIER -50.94 -22.64 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.109999999999999 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.72 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.5 mmp_? -83.97 -78.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.439999999999998 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.25 -56.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 60.409999999999997 108.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 103.13 64.93 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 71.109999999999999 110.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -148.58 -168.6 3.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.005 -1.109 . . . . 75.510000000000005 108.005 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.45 63.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 65.510000000000005 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.601 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.1 tt -62.62 -40.2 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 71.450000000000003 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.6 -26.9 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.109999999999999 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.79 20.12 10.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 63.25 111.034 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.435 ' OD2' ' NH1' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -51.8 164.69 0.52 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 72.540000000000006 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.07 21.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 74.129999999999995 111.035 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 77.98 22.24 69.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 75.219999999999999 110.972 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.4 p 51.77 48.97 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 71.019999999999996 109.976 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.35 158.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 73.510000000000005 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.427 ' CD ' ' C ' ' A' ' 156' ' ' ARG . 2.8 ppt_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 60.049999999999997 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.567 -0.531 . . . . 70.430000000000007 109.567 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -38.56 135.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 63.43 111.008 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.56 125.55 30.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 54.219999999999999 109.302 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.72 174.6 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.400000000000006 108.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p -113.89 13.27 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 63.439999999999998 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.87 -86.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 54.310000000000002 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.03 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 65.150000000000006 111.027 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 81.8 p -179.69 -179.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 51.399999999999999 109.972 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.871 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -70.73 -50.58 12.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.340000000000003 109.278 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -38.46 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 70.439999999999998 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 10.7 t -40.96 -45.23 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 54.240000000000002 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.64 -45.52 93.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 43.210000000000001 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.729 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -57.59 -34.86 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 74.120000000000005 111.047 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.28 -52.34 48.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 65.129999999999995 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.65 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.0 mt -61.77 -20.07 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 63.149999999999999 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 ' O ' ' A' ' 46' ' ' MET . 1.2 tp -71.83 -41.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 72.230000000000004 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.55 1.94 80.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 34.130000000000003 111.025 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.75 6.78 21.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 34.030000000000001 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.54 -63.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.109999999999999 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 158.82 135.05 1.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 55.210000000000001 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.5 tp60 -36.76 -63.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 53.32 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -37.47 76.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.510000000000005 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.855 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -50.12 -30.04 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.409999999999997 109.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.511 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.43 -57.74 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 72.209999999999994 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' H ' HD22 ' A' ' 24' ' ' LEU . 2.9 mm? -48.91 -54.02 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 64.430000000000007 109.308 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.9 t80 -52.7 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 65.400000000000006 111.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' LYS . 58.6 mt -38.98 -60.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 70.25 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -45.38 -48.32 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.120000000000005 109.311 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.46 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 33.0 m80 -62.39 -32.76 73.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.310000000000002 109.629 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.3 tttp -72.71 -31.99 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 72.319999999999993 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.7 mt -73.08 -20.95 60.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.129999999999995 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 8.3 mmtt -39.29 -30.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.540000000000006 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 m -108.56 100.75 39.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 71.129999999999995 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.57 31.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 75.120000000000005 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' NE ' ' CA ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -114.24 166.97 10.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 71.439999999999998 110.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.92 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 71.25 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.02 15.19 36.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 33.229999999999997 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 16.0 p -67.98 123.74 21.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.279 -1.008 . . . . 74.439999999999998 108.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.65 0.39 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.140000000000001 110.333 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -116.47 -33.06 1.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 61.119999999999997 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 19.5 tt0 -74.59 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 71.310000000000002 110.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.768 ' CB ' HD21 ' A' ' 64' ' ' LEU . 3.4 t70 -53.51 -36.75 62.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.030000000000001 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 73' ' ' VAL . 4.7 tt -61.34 -57.31 12.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 73.420000000000002 109.289 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 99' ' ' LEU . 1.7 tt -55.72 -30.09 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 64.049999999999997 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.567 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.0 t-160 -56.05 -31.17 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.409999999999997 109.545 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -83.74 -26.29 29.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 73.140000000000001 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 99' ' ' LEU . 75.9 mtp -80.19 -12.06 59.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 61.039999999999999 110.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' LEU . 97.0 t -95.17 -51.19 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.120000000000005 109.309 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.845 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.35 -48.98 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 61.549999999999997 109.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 77' ' ' TRP . 6.0 mp -53.66 -50.49 65.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.219999999999999 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmmt -51.43 -24.79 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.430000000000007 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.845 HD12 HD13 ' A' ' 48' ' ' LEU . 9.4 mt -87.12 -43.64 12.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 64.310000000000002 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.56 15.42 8.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 75.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -131.67 80.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 74.239999999999995 110.302 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.9 pt-20 -73.48 -18.4 61.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 63.009999999999998 110.256 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.26 -34.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 73.230000000000004 110.368 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 12.1 mp0 -86.29 -45.61 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.430000000000007 110.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -44.83 -41.0 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 63.310000000000002 109.316 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -60.19 -40.55 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 71.010000000000005 110.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -63.35 -59.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 62.350000000000001 109.295 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -49.69 -52.4 31.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.140000000000001 110.002 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 74' ' ' ALA . 8.5 mt -56.19 -42.01 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.129999999999995 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.39 -15.06 60.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.310000000000002 110.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' ILE . . . -88.53 12.82 13.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 71.219999999999999 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.768 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.4 mt -125.13 53.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.329999999999998 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -58.65 -17.36 21.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.200000000000003 109.282 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.05 -56.15 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 72.239999999999995 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.531 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -73.85 131.35 41.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 72.25 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.24 -5.06 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 74.430000000000007 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.891 HG22 ' HG2' ' A' ' 89' ' ' PRO . 86.3 t -90.51 -53.47 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.319999999999993 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -45.8 -28.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 63.009999999999998 109.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -40.57 38.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 63.409999999999997 110.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.938 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -72.79 -10.84 60.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 62.149999999999999 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.858 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.9 t -91.85 -5.62 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.099999999999994 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.071 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.67 -35.2 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 65.310000000000002 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.938 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.5 ptt-85 -99.12 -5.75 29.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 72.409999999999997 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -89.33 -45.79 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 54.32 110.306 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.871 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.4 m-90 -108.34 -61.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 63.450000000000003 107.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.071 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.35 -23.89 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 72.140000000000001 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 72.79 19.41 79.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 75.340000000000003 111.022 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.612 HG11 HG22 ' A' ' 83' ' ' THR . 2.5 t -42.46 165.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 51.210000000000001 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.92 45.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.010000000000005 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 81' ' ' ASP . 91.1 p 33.66 37.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 74.519999999999996 109.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.612 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -39.97 -27.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.420000000000002 110.423 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 82' ' ' SER . 3.9 mt-10 -84.35 -161.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 74.409999999999997 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.93 157.76 36.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 73.420000000000002 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 81.05 2.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 42.240000000000002 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -155.86 135.22 12.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 70.010000000000005 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.4 mt-10 -79.4 140.03 55.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 71.040000000000006 110.331 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.891 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 160.4 40.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 71.200000000000003 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 70.430000000000007 111.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.887 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -118.33 27.02 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 75.439999999999998 109.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.67 -78.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 74.340000000000003 109.276 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.477 ' H ' HG23 ' A' ' 92' ' ' VAL . 11.1 t -65.67 -46.62 78.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 72.439999999999998 110.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.077 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.2 t90 -41.33 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 74.030000000000001 108.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.8 -55.41 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 70.420000000000002 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 23.1 t -47.84 -40.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 64.239999999999995 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -71.75 -29.06 64.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.157 . . . . 75.120000000000005 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.517 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 5.2 mmt180 -75.03 -22.56 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 62.43 110.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 43' ' ' LEU . 3.5 tt -82.18 -52.26 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 71.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.977 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m-85 -60.4 -17.88 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.109999999999999 110.974 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.92 -26.51 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.109999999999999 109.612 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -92.76 -30.78 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 63.32 109.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.742 HD13 ' SG ' ' A' ' 109' ' ' CYS . 15.1 mt -62.96 -25.92 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 64.530000000000001 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.97 -9.89 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.140000000000001 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.46 -19.84 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.420000000000002 110.339 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.68 -18.59 26.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 73.329999999999998 110.296 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm 78.42 31.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 70.340000000000003 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.7 mt -102.73 -36.53 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 72.040000000000006 109.302 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.2 m -131.55 145.23 56.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 64.030000000000001 108.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.23 20.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 64.230000000000004 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.95 -10.24 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 61.43 109.249 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -64.08 -34.9 79.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.239999999999995 110.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.87 -43.72 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.285 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -49.78 -24.27 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.230000000000004 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.473 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 1.4 m-20 -84.37 -71.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.150000000000006 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.3 t -39.61 -34.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 63.310000000000002 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -69.39 -55.18 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.040000000000006 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.72 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.3 m-85 -53.32 -46.95 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.655 ' O ' HG22 ' A' ' 122' ' ' VAL . 73.7 mt-30 -48.23 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 55.140000000000001 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.45 -21.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.120000000000005 110.288 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -81.71 -42.97 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 54.130000000000003 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.3 m -66.01 -22.85 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 71.340000000000003 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.62 -69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 75.510000000000005 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -41.47 -27.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 73.430000000000007 110.359 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 6.4 mt -83.97 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 63.200000000000003 109.251 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 133' ' ' LEU . 7.2 t -37.24 -39.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 52.399999999999999 110.014 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -60.67 -56.84 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.549999999999997 109.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -81.84 5.26 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.430000000000007 110.312 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.0 t0 43.6 38.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 74.540000000000006 109.304 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.5 t0 -41.3 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.209999999999994 109.29 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -81.46 -1.98 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.420000000000002 109.592 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -2.56 14.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 72.239999999999995 110.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.97 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 71.519999999999996 109.329 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.31 -32.77 7.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 74.040000000000006 111.013 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.47 -34.71 74.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 72.329999999999998 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.077 HD13 ' CE2' ' A' ' 94' ' ' TRP . 30.9 tp -69.8 -40.46 75.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.310000000000002 109.266 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.826 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.3 mm-40 -66.17 -17.95 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.019999999999996 110.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -98.51 -8.04 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.329999999999998 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.427 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -98.3 -53.08 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 64.439999999999998 110.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.28 -17.26 11.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 55.219999999999999 109.307 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.7 mtm180 -93.82 -58.83 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 61.100000000000001 110.331 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.78 -20.28 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 34.119999999999997 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 139' ' ' GLU . 9.2 mmp_? -84.62 -73.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 74.349999999999994 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -71.8 -56.24 6.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 63.509999999999998 108.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 105.0 64.31 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 54.130000000000003 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.78 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -146.43 -169.89 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 73.129999999999995 107.997 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.34 66.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 60.530000000000001 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.78 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.8 tt -70.15 -38.38 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 62.420000000000002 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.826 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.8 -23.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.109999999999999 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 87.97 28.35 23.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 73.129999999999995 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.803 ' CB ' HD11 ' A' ' 155' ' ' ILE . 0.5 OUTLIER -76.98 169.63 20.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 62.329999999999998 109.343 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 61.140000000000001 110.956 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.38 -52.9 4.54 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.479 1.112 . . . . 62.420000000000002 111.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.0 t -76.13 58.0 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 34.0 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.803 HD11 ' CB ' ' A' ' 151' ' ' ASP . 2.8 mt -84.6 156.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.010000000000005 109.285 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.239999999999995 110.334 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.606 -0.516 . . . . 65.530000000000001 109.606 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt -75.32 -177.41 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 75.120000000000005 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.08 -171.19 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 55.049999999999997 109.341 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 4' ' ' THR . 33.6 m -124.5 84.81 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.540000000000006 108.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 3' ' ' CYS . 12.6 p -150.64 174.84 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 74.310000000000002 110.393 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.76 -95.8 1.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 64.010000000000005 110.998 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.98 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 54.119999999999997 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t 179.38 177.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 74.200000000000003 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.795 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.57 -53.14 31.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 -27.31 10.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.329999999999998 111.048 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.411 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 10.0 t -49.77 -46.35 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 61.149999999999999 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 1.035 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -64.23 -32.34 73.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 62.420000000000002 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -65.08 -34.17 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.25 110.994 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.19 -35.15 71.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.209999999999994 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.9 HG21 ' SG ' ' A' ' 109' ' ' CYS . 9.7 mt -72.92 -17.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.109999999999999 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.636 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.4 mt -71.14 -52.27 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.420000000000002 109.256 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.35 -2.14 58.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.55 1.156 . . . . 71.329999999999998 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.95 -23.89 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 73.349999999999994 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.849 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -58.8 -66.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 53.119999999999997 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.5 139.77 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 75.540000000000006 110.952 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -39.79 -64.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 64.319999999999993 110.326 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.52 -24.2 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.420000000000002 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.849 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -63.78 -17.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 73.5 109.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.6 mt -91.57 -47.64 7.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.329999999999998 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.442 ' CD2' HD13 ' A' ' 51' ' ' LEU . 76.6 mt -59.17 -51.08 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 63.5 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -51.64 -61.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 72.340000000000003 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 108' ' ' LEU . 42.7 mt -54.48 -40.41 68.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 73.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tmmt? -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 61.119999999999997 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 38.8 m80 -75.19 -0.66 20.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.230000000000004 109.633 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 3.0 tptt -94.98 -41.91 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 63.350000000000001 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.778 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -77.49 -11.48 59.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.420000000000002 109.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 12.2 mmtt -37.12 -33.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 75.129999999999995 109.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -118.4 120.41 32.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 54.310000000000002 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.33 37.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 45.439999999999998 111.031 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -110.04 162.74 19.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.230000000000004 110.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 74.299999999999997 111.002 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.7 29.37 9.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 71.040000000000006 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 125.34 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.323 -0.991 . . . . 73.5 108.323 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -127.68 2.22 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 74.530000000000001 110.329 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -105.34 -24.57 7.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.105 . . . . 44.409999999999997 111.025 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.2 tt0 -82.87 -53.26 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 74.340000000000003 110.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.785 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.0 t0 -59.7 -40.94 89.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.430000000000007 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 1.055 HD21 HG21 ' A' ' 73' ' ' VAL . 1.8 tt -62.01 -52.33 64.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 63.420000000000002 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 99' ' ' LEU . 5.7 tp -57.88 -28.95 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 74.109999999999999 109.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.7 t-160 -61.25 -27.49 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.319999999999993 109.581 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -89.55 -13.94 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 64.510000000000005 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 99' ' ' LEU . 49.4 mtp -98.16 -7.92 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 72.230000000000004 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.8 t -95.24 -53.26 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 74.209999999999994 109.269 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -41.32 -41.8 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 71.540000000000006 109.317 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 77' ' ' TRP . 1.2 mp -60.25 -48.55 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 64.310000000000002 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -41.29 -29.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 61.32 109.293 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 23' ' ' LEU . 2.8 mt -97.36 -37.67 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 71.439999999999998 109.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 111.75 19.19 7.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 61.409999999999997 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HB2' HD12 ' A' ' 48' ' ' LEU . 3.0 mt-30 -116.56 59.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 73.299999999999997 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.2 pt-20 -61.74 -20.26 63.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 62.219999999999999 110.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.86 -44.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 61.229999999999997 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.9 mp0 -79.58 -41.13 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 72.519999999999996 110.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -47.78 -33.32 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 53.310000000000002 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.13 -36.52 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.530000000000001 110.266 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.0 mp -67.77 -51.03 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 73.310000000000002 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 m -56.13 -51.08 69.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.540000000000006 109.973 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.6 mt -50.73 -43.44 58.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 62.32 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.98 -29.61 70.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.329999999999998 110.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -65.32 -12.57 53.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 75.200000000000003 109.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.29 48.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.450000000000003 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.3 -15.8 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.329999999999998 109.306 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.77 -25.34 26.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 72.439999999999998 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.3 110.33 21.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 73.450000000000003 109.268 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -68.79 -8.69 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.329999999999998 109.342 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -83.12 -31.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 73.120000000000005 109.257 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.899 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -68.04 -69.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 53.119999999999997 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.23 -21.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 72.109999999999999 110.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.886 HD22 ' O ' ' A' ' 72' ' ' LEU . 0.2 OUTLIER -82.36 -34.06 28.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 73.040000000000006 109.337 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 1.055 HG21 HD21 ' A' ' 42' ' ' LEU . 4.8 t -73.71 -6.79 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.140000000000001 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.985 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.55 -36.27 24.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 64.530000000000001 109.296 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.811 ' NH2' HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -97.92 -6.14 32.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 73.219999999999999 110.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 4.4 tp-100 -89.4 -44.91 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.230000000000004 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.838 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.4 m-90 -108.9 -59.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 64.109999999999999 107.967 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.985 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -42.43 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.540000000000006 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 74.51 41.95 34.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 64.310000000000002 110.969 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.672 HG23 ' H ' ' A' ' 82' ' ' SER . 23.2 m -61.09 -140.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 63.439999999999998 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.3 t0 -105.13 18.48 22.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 109.319 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.672 ' H ' HG23 ' A' ' 80' ' ' VAL . 45.5 p 36.98 57.9 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 64.299999999999997 109.954 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.4 p -44.69 -25.34 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 73.439999999999998 110.43 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -88.35 -173.05 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.230000000000004 110.264 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 171.98 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 62.399999999999999 109.277 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.98 3.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 74.120000000000005 111.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -153.42 121.31 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 75.299999999999997 110.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' HB3' HG11 ' A' ' 92' ' ' VAL . 2.7 mt-10 -60.46 147.47 82.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 64.140000000000001 110.298 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.02 164.66 32.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 73.010000000000005 110.984 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.04 10.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 75.109999999999999 111.055 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 44.1 m-20 -119.23 26.94 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.150000000000006 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.82 -79.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 64.319999999999993 109.32 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.446 ' H ' HG23 ' A' ' 92' ' ' VAL . 58.8 m -68.34 -47.67 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.209999999999994 109.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.1 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -40.16 -68.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 63.5 108.01 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.73 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 64.109999999999999 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 92' ' ' VAL . 22.0 t -48.85 -44.52 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 63.299999999999997 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.482 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.89 -30.15 70.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.230000000000004 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 55.4 mtt180 -80.43 -22.82 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 75.109999999999999 110.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 43' ' ' LEU . 5.3 tt -81.97 -48.15 11.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 75.219999999999999 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 1.035 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.9 m-85 -66.73 -27.77 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 73.140000000000001 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.6 t60 -53.8 -29.15 39.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 63.399999999999999 109.61 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 1.7 mt -87.85 -40.52 13.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.209999999999994 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.425 HD22 HD12 ' A' ' 108' ' ' LEU . 96.0 mt -61.81 -14.58 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 75.109999999999999 109.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.936 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.85 -23.03 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 52.439999999999998 109.28 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.85 -20.21 16.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.120000000000005 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' ' HG ' ' A' ' 108' ' ' LEU . 67.3 mm-40 -79.5 -8.76 59.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 75.400000000000006 110.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HZ2' ' HB3' ' A' ' 107' ' ' LYS . 1.0 OUTLIER 67.83 20.22 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.109999999999999 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 35.2 mt -91.58 -37.82 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.030000000000001 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.9 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -137.03 148.73 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.25 108.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.93 25.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 63.210000000000001 111.035 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.83 -4.99 54.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 73.030000000000001 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 115' ' ' ASP . 16.1 m -75.82 -8.02 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.239999999999995 110.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.9 mt -100.62 -27.04 13.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 64.540000000000006 109.262 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.936 HH21 ' CB ' ' A' ' 104' ' ' ALA . 13.0 ttm180 -73.5 -28.15 61.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 71.150000000000006 110.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 2.0 p30 -77.81 -50.57 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.409999999999997 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.3 t -61.71 -34.48 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.219999999999999 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.55 90.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 74.019999999999996 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.892 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.8 m-85 -65.77 -43.59 88.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 63.219999999999999 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.2 mt-30 -52.94 -50.22 64.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.519999999999996 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HB3' ' NH2' ' A' ' 123' ' ' ARG . 49.2 mt-10 -64.22 -10.75 25.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.120000000000005 110.361 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -96.57 -29.08 14.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 72.109999999999999 109.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.07 -29.07 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 61.109999999999999 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.83 -21.06 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 74.430000000000007 110.327 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.661 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -82.62 -40.02 21.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 70.310000000000002 110.398 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 124' ' ' THR . 4.8 mp -80.67 -36.52 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.329999999999998 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 29.7 t -68.09 -37.84 81.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.230000000000004 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 t -63.99 -43.88 94.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 65.510000000000005 109.986 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -89.94 -5.27 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 63.439999999999998 110.313 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 45.1 t0 54.74 43.38 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.530000000000001 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 20.3 t0 -52.13 177.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 71.120000000000005 109.276 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -98.24 2.37 48.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.200000000000003 109.6 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.2 -3.26 12.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 71.420000000000002 110.306 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.25 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 71.219999999999999 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.695 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.6 -34.2 13.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 71.099999999999994 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.05 -32.86 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 73.5 110.317 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.1 HD13 ' CE2' ' A' ' 94' ' ' TRP . 32.9 tp -72.08 -41.8 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 70.329999999999998 109.263 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.794 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 40.6 mm-40 -62.81 -13.57 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 72.019999999999996 110.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -106.66 -4.81 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.409999999999997 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.6 tt0 -99.33 -45.32 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 53.439999999999998 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -69.5 -13.99 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 53.420000000000002 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' GLY . 28.0 mtm180 -92.92 -61.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 74.530000000000001 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.55 -22.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.239999999999995 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.441 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.6 mmp_? -84.7 -78.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 73.420000000000002 110.328 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.49 -55.21 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.519999999999996 108.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.5 69.01 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 60.539999999999999 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.13 -170.57 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.976 -1.12 . . . . 71.019999999999996 107.976 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.49 63.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.329999999999998 109.278 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.8 tt -72.35 -18.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 64.349999999999994 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -71.23 -6.92 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 72.420000000000002 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.72 56.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 55.329999999999998 111.047 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.566 ' HB3' HD11 ' A' ' 155' ' ' ILE . 6.1 m-20 -49.99 149.79 4.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 64.219999999999999 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.74 8.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 71.209999999999994 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.56 -45.43 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.56 1.163 . . . . 53.420000000000002 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 t -75.22 62.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 75.400000000000006 110.019 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 151' ' ' ASP . 1.3 pp -151.27 164.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 73.150000000000006 109.333 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 71.25 110.339 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 0' ' ' HIS . . . . . 0.531 ' O ' ' CG ' ' A' ' 0' ' ' HIS . 0.1 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.566 -0.531 . . . . 64.239999999999995 109.566 . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt 65.84 29.0 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 74.540000000000006 110.983 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.77 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 52.530000000000001 109.341 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.32 44.22 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 52.329999999999998 108.295 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -95.21 153.93 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 75.310000000000002 110.423 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.94 -83.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 63.100000000000001 111.026 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -168.14 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.523 1.801 . . . . 73.409999999999997 110.991 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.64 177.83 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 71.349999999999994 110.02 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.84 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.09 -52.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.109999999999999 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -29.32 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 65.540000000000006 111.019 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 t -47.71 -45.47 28.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.349999999999994 109.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.89 -30.74 71.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.210000000000001 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -68.78 -36.89 78.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.439999999999998 111.044 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.08 -35.16 71.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 71.530000000000001 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 11' ' ' ALA . 9.8 mt -70.66 -26.06 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 70.120000000000005 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 HD21 ' A' ' 43' ' ' LEU . 1.6 mt -61.11 -50.78 71.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 71.430000000000007 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.3 58.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 70.420000000000002 110.964 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.69 15.34 28.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.777 . . . . 73.109999999999999 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.67 -61.2 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 71.140000000000001 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 154.96 132.77 1.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 72.010000000000005 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' GLY . 6.9 tp-100 -37.29 -56.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 75.120000000000005 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.29 -40.73 96.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.049999999999997 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -47.49 -31.59 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 71.420000000000002 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -52.1 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 41.140000000000001 109.3 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -53.52 -50.13 66.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 63.43 109.258 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.41 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.420000000000002 110.99 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' OE2' ' A' ' 106' ' ' GLU . 33.8 mt -42.94 -43.3 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 71.200000000000003 109.27 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -53.49 -52.79 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 54.329999999999998 109.269 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.435 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.0 m80 -62.8 -12.97 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.109999999999999 109.609 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -86.68 -50.62 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 65.530000000000001 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.64 -13.27 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 70.409999999999997 109.321 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 21.0 mmtt -38.78 -40.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 51.439999999999998 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' NH1' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -119.91 120.55 30.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.319999999999993 110.443 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 74.400000000000006 111.012 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 7.6 mmm180 -103.34 163.43 17.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 71.420000000000002 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 97.62 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 63.119999999999997 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.74 22.76 15.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 72.219999999999999 111.027 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 125.19 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.278 -1.008 . . . . 70.400000000000006 108.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.1 mp0 -126.91 0.63 6.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 75.219999999999999 110.305 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.52 -28.41 7.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 73.310000000000002 110.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG2' HD22 ' A' ' 30' ' ' LEU . 22.8 tt0 -78.89 -56.78 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 73.319999999999993 110.341 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.783 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.3 t0 -53.14 -40.16 64.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.409999999999997 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.954 HD21 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -63.4 -54.74 31.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.450000000000003 109.251 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 103' ' ' LEU . 1.1 tt -54.34 -27.62 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 70.400000000000006 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.841 ' HA ' HD12 ' A' ' 30' ' ' LEU . 1.9 t60 -60.54 -33.83 73.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 74.150000000000006 109.61 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -78.49 -29.16 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 74.420000000000002 109.255 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.425 ' HE2' ' HB3' ' A' ' 46' ' ' MET . 84.9 mtp -83.64 -9.47 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.329999999999998 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.618 HG23 ' CD2' ' A' ' 43' ' ' LEU . 14.2 t -95.23 -53.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 70.010000000000005 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.486 ' HA ' HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -40.27 -45.39 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.040000000000006 109.307 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 54' ' ' GLU . 12.8 mt -55.6 -49.44 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.439999999999998 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 1.9 mmmp? -45.33 -26.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 71.040000000000006 109.322 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.595 HD23 ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -92.07 -43.61 9.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 73.219999999999999 109.303 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.64 16.86 6.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 71.140000000000001 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.402 ' OE1' HD12 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -126.06 83.24 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 63.450000000000003 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -77.34 -17.43 58.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 62.450000000000003 110.302 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.94 -34.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 71.230000000000004 110.354 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ILE . 4.2 mp0 -89.51 -45.14 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.409999999999997 110.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.16 -41.01 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.140000000000001 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -57.56 -46.2 84.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.120000000000005 110.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mp -59.21 -61.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.540000000000006 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.31 -53.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 63.329999999999998 109.981 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 70' ' ' ALA . 2.6 mt -56.62 -47.13 80.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 71.310000000000002 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' ILE . 41.6 tp10 -64.21 -15.15 59.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.120000000000005 110.286 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.73 17.26 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 60.130000000000003 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.783 HD21 ' CB ' ' A' ' 41' ' ' ASP . 2.8 mt -138.31 54.49 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.329999999999998 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 9.1 mmmm -67.88 -9.86 48.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.219999999999999 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 -23.41 36.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 51.240000000000002 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.21 139.27 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 24.23 109.316 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.419 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . . . -91.46 -18.35 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 55.530000000000001 109.3 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 ' CB ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -77.52 -17.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 71.450000000000003 109.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.11 -64.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 63.25 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -56.75 -35.9 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 72.129999999999995 110.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.781 HD13 ' C ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.7 -31.11 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.120000000000005 109.333 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.954 HG21 HD21 ' A' ' 42' ' ' LEU . 10.3 t -76.59 -5.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 54.200000000000003 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.935 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.05 -37.76 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 72.129999999999995 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 82' ' ' SER . 6.9 ptt-85 -98.49 -8.09 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.049999999999997 110.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 tp-100 -88.04 -43.64 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 73.409999999999997 110.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.84 ' CH2' HD22 ' A' ' 8' ' ' LEU . 20.5 m-90 -109.6 -58.23 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.310000000000002 108.018 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.935 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.49 -32.97 70.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.310000000000002 109.326 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.44 35.72 90.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.448 1.093 . . . . 62.020000000000003 111.032 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG22 ' C ' ' A' ' 74' ' ' ALA . 15.8 m -53.78 -171.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 75.340000000000003 109.316 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.35 17.1 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 75.019999999999996 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.555 ' H ' HG23 ' A' ' 80' ' ' VAL . 54.5 m -75.79 55.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 55.039999999999999 109.955 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -60.0 -4.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 53.020000000000003 110.411 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' O ' ' O ' ' A' ' 83' ' ' THR . 4.6 mm-40 -48.58 -171.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 73.239999999999995 110.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' CG ' ' CG ' ' A' ' 87' ' ' GLU . 20.9 t0 -39.42 100.04 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 40.530000000000001 109.246 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -16.63 20.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 73.340000000000003 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' CG ' ' CG ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -47.12 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 63.439999999999998 110.292 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 -86.98 140.22 32.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.299999999999997 110.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' HG23 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 73.329999999999998 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' PRO . 18.3 Cg_endo -75.0 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 61.310000000000002 111.007 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.62 25.03 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.129999999999995 109.313 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -44.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.530000000000001 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' VAL . 2.7 m -106.42 -38.87 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 61.32 110.016 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.058 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -46.05 -48.68 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 74.420000000000002 107.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.867 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -58.73 -36.84 74.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 63.140000000000001 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' SER . 30.6 t -65.83 -18.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 73.540000000000006 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.83 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -91.09 -32.84 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 63.039999999999999 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.585 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 43.1 mtt180 -84.02 -20.15 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 74.450000000000003 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.0 tp -85.05 -50.27 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.340000000000003 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.5 m-85 -64.74 -27.47 68.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 75.420000000000002 111.025 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.6 t60 -60.19 -18.86 51.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 62.439999999999998 109.621 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 7.7 mt -97.25 -24.7 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.310000000000002 109.265 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 43' ' ' LEU . 48.2 mt -71.52 -23.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 63.310000000000002 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 61.450000000000003 109.279 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' CD ' ' HA ' ' A' ' 102' ' ' LEU . 5.5 mt-10 -99.19 -18.76 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 54.329999999999998 110.351 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.758 ' OE1' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.84 -8.64 16.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 72.099999999999994 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 76.64 40.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 71.030000000000001 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 103' ' ' LEU . 9.2 mt -95.84 -39.51 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 43.329999999999998 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -140.64 147.71 50.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 52.299999999999997 108.267 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.6 Cg_endo -74.96 146.4 32.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 60.149999999999999 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -46.18 -25.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 73.239999999999995 109.273 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.974 ' O ' HG23 ' A' ' 116' ' ' VAL . 70.1 m -51.63 -45.37 63.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 72.140000000000001 110.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.23 -31.98 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.299999999999997 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.551 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 3.0 ttp180 -66.52 -30.35 70.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.439999999999998 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.3 OUTLIER -84.0 -47.18 11.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.099999999999994 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 112' ' ' SER . 22.1 t -57.7 -36.96 56.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.019999999999996 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.58 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.150000000000006 109.314 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.83 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 2.9 m-85 -65.95 -45.95 79.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 73.120000000000005 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -51.0 -53.32 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 72.230000000000004 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -17.16 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.319999999999993 110.31 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.78 -19.01 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.120000000000005 109.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.629 HG13 ' OE1' ' A' ' 137' ' ' GLN . 29.7 t -85.81 -25.37 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 63.219999999999999 109.319 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -87.46 -29.15 21.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 72.549999999999997 110.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.9 t -69.62 -45.69 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 74.230000000000004 110.42 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.913 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.4 mp -65.79 -43.42 88.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 65.140000000000001 109.318 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.51 ' OG ' HD21 ' A' ' 133' ' ' LEU . 15.8 m -64.19 -46.19 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.219999999999999 109.949 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 m -54.08 -54.52 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 73.530000000000001 110.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' NE ' HD12 ' A' ' 125' ' ' LEU . 7.9 ptt180 -81.52 -4.46 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.519999999999996 110.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.4 t0 45.22 57.74 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.549999999999997 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.04 -174.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.129999999999995 109.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.27 0.55 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 75.239999999999995 109.611 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.553 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -110.14 10.08 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 70.310000000000002 110.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.51 HD21 ' OG ' ' A' ' 126' ' ' SER . 2.9 tm? -61.51 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.120000000000005 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.458 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.54 -28.23 28.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 42.310000000000002 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.61 -30.78 69.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 70.209999999999994 110.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.058 HD13 ' CE2' ' A' ' 94' ' ' TRP . 47.6 tp -80.43 -38.14 30.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.239999999999995 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.7 mm-40 -62.35 -15.28 47.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.18 -3.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 71.540000000000006 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -99.24 -46.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 70.319999999999993 110.336 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -68.4 -10.7 56.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 51.219999999999999 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 55.7 mtm180 -97.5 -59.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 75.540000000000006 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -22.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 64.430000000000007 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 15.1 mmp_? -86.13 -78.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 64.349999999999994 110.29 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.8 -55.64 16.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 63.409999999999997 108.273 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.0 68.88 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 72.439999999999998 110.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.973 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -149.28 -169.88 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.997 -1.112 . . . . 75.439999999999998 107.997 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -113.59 61.2 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 63.439999999999998 109.34 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.973 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.7 tt -72.22 -18.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.120000000000005 109.335 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -61.47 -15.0 33.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 75.5 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 105.29 -9.66 46.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 71.230000000000004 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.5 141.43 23.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 72.209999999999994 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.2 Cg_endo -75.07 0.34 9.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 74.120000000000005 110.971 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.05 -48.39 0.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 64.430000000000007 110.993 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m -74.13 64.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 64.319999999999993 109.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 4.4 mm -134.94 153.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 61.149999999999999 109.289 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 75.409999999999997 110.323 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.593 -0.521 . . . . 61.020000000000003 109.593 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt -109.34 59.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 62.43 111.051 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.73 152.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 34.240000000000002 109.293 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 p -91.49 46.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 73.209999999999994 108.268 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.741 ' CG2' HG21 ' A' ' 116' ' ' VAL . 13.3 m -139.94 155.5 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 73.409999999999997 110.413 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' HG11 ' A' ' 116' ' ' VAL . . . 98.46 78.76 1.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 32.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.676 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 -170.48 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 61.299999999999997 111.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.553 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 m -170.06 -177.82 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.409999999999997 109.969 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.489 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.81 -53.99 10.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.209999999999994 109.233 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -75.0 -30.63 6.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 72.349999999999994 111.005 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -47.14 -46.21 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 52.240000000000002 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.53 -31.73 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.230000000000004 109.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.813 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -70.25 -36.48 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 61.020000000000003 110.985 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.23 -52.55 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 61.109999999999999 109.251 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 6.9 mt -61.87 -24.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.129999999999995 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -51.93 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 62.229999999999997 109.343 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -74.15 -14.46 80.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 73.319999999999993 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -86.35 3.29 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 72.209999999999994 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.872 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -83.06 -70.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.340000000000003 109.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 170.91 136.8 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 44.020000000000003 111.016 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 9.5 tp-100 -37.41 -60.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 71.120000000000005 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.03 -35.18 79.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 62.409999999999997 109.312 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.872 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 tptt -49.1 -30.64 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.530000000000001 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -56.29 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 64.409999999999997 109.274 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.47 HD13 HD22 ' A' ' 51' ' ' LEU . 2.4 mm? -50.01 -52.43 34.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 72.510000000000005 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -51.79 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.420000000000002 110.98 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 62.7 mt -39.65 -46.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 73.409999999999997 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.08 -52.72 57.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 74.219999999999999 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.434 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 45.4 m80 -61.38 -14.25 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 73.219999999999999 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -86.33 -49.92 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 72.200000000000003 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.785 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -63.24 -13.69 40.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 50.409999999999997 109.297 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 29.7 mmtt -39.4 -33.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.230000000000004 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -123.52 109.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 65.209999999999994 110.409 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.8 38.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 75.200000000000003 111.037 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -91.36 160.51 36.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 74.239999999999995 110.323 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 97.51 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 71.200000000000003 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.92 9.38 32.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 73.230000000000004 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.39 126.85 36.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 75.030000000000001 108.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.3 mp0 -128.4 2.69 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 51.350000000000001 110.281 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.507 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.63 -25.14 7.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 52.310000000000002 111.018 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.785 ' CG ' HD22 ' A' ' 30' ' ' LEU . 33.8 tt0 -83.6 -55.59 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 74.319999999999993 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.8 t0 -57.28 -40.52 77.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 60.219999999999999 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 73' ' ' VAL . 18.1 tp -62.08 -48.93 78.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 53.409999999999997 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.0 tp -60.13 -31.98 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 63.32 109.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.63 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.1 t-160 -60.1 -23.71 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 73.239999999999995 109.63 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . . . -82.96 -20.65 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 53.340000000000003 109.253 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.7 mtp -97.38 -11.1 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.230000000000004 110.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 43' ' ' LEU . 44.5 t -87.98 -58.11 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.5 109.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 51' ' ' LEU . 1.4 mm? -40.82 -33.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 74.200000000000003 109.297 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 1.4 mt -61.31 -52.77 63.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 72.530000000000001 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 mmmt -51.93 -21.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 73.239999999999995 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 48' ' ' LEU . 2.7 mt -88.96 -43.13 11.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 62.229999999999997 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.33 21.58 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 62.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.85 79.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 75.129999999999995 110.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.52 -19.06 63.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 70.040000000000006 110.357 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -39.69 -29.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 64.329999999999998 110.389 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm-40 -93.94 -43.46 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 74.239999999999995 110.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.22 -36.54 3.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 54.340000000000003 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.2 mtp180 -68.37 -55.8 10.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 75.230000000000004 110.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.1 mp -47.68 -46.92 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.450000000000003 109.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -59.03 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 62.210000000000001 109.976 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 74' ' ' ALA . 12.6 mt -55.24 -42.18 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 73.430000000000007 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.42 -16.03 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 55.140000000000001 110.347 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -83.25 5.62 22.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 75.439999999999998 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 41' ' ' ASP . 7.7 mt -122.04 49.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 43.140000000000001 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -54.02 -22.92 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 72.140000000000001 109.279 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.38 28.38 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 61.109999999999999 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.13 132.01 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 60.439999999999998 109.268 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -89.88 -24.29 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 70.400000000000006 109.298 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.1 t -66.48 -14.73 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 71.030000000000001 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -77.44 -48.54 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 43.409999999999997 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -66.35 -22.9 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 75.019999999999996 110.264 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 72' ' ' LEU . 1.2 tm? -89.08 -41.97 12.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.519999999999996 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 42' ' ' LEU . 25.0 t -69.45 -8.84 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 73.129999999999995 109.32 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.065 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -81.13 -39.43 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 61.539999999999999 109.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -98.39 -6.02 31.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 72.549999999999997 110.291 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.9 OUTLIER -84.34 -44.47 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.450000000000003 110.29 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 27.0 m-90 -116.49 -62.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 74.209999999999994 107.97 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.065 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.3 -29.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 74.120000000000005 109.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.37 20.49 69.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 65.129999999999995 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG21 ' HB1' ' A' ' 74' ' ' ALA . 2.8 t -42.4 165.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 72.239999999999995 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 83' ' ' THR . 0.6 OUTLIER -75.73 54.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 41.509999999999998 109.329 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' ASP . 29.4 p -24.17 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 62.5 109.956 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.593 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -104.4 -7.37 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 62.109999999999999 110.398 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -91.58 -165.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 72.450000000000003 110.345 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 161.56 29.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 64.109999999999999 109.265 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.46 1.769 . . . . 70.310000000000002 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -48.97 115.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 73.439999999999998 110.348 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.5 151.41 96.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 62.020000000000003 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 50.329999999999998 111.041 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.52 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 74.099999999999994 111.029 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.523 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -119.51 25.27 10.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 74.010000000000005 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -39.84 -45.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 52.520000000000003 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -42.23 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 51.100000000000001 109.98 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.105 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.3 t90 -45.97 -56.38 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 75.200000000000003 108.002 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.23 -42.41 20.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.119999999999997 109.3 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.553 HG11 ' C ' ' A' ' 7' ' ' SER . 14.8 t -62.73 -39.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 71.450000000000003 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.36 68.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 64.239999999999995 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ARG . . . . . . . . . . . . . 18.2 mtt180 -85.96 -23.64 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.230000000000004 110.327 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tp -74.53 -45.94 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.109999999999999 109.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -67.54 -33.84 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 75.349999999999994 111.024 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -49.71 -27.69 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 109.572 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.7 mt -90.72 -35.86 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 54.530000000000001 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 108' ' ' LEU . 39.8 mt -62.69 -23.15 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.540000000000006 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.02 -12.75 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 52.299999999999997 109.333 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -99.87 -19.55 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.540000000000006 110.31 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' OE1' HD21 ' A' ' 26' ' ' LEU . 24.9 mm-40 -83.87 -18.58 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 51.509999999999998 110.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt 77.09 44.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 52.140000000000001 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 21.8 mt -112.23 -37.85 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 55.43 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.9 p -136.29 154.97 77.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 45.409999999999997 108.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.99 30.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 72.140000000000001 110.979 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.23 51.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.310000000000002 109.31 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.1 m -62.99 -53.49 53.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 51.32 110.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -52.03 -37.42 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 55.340000000000003 109.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -62.43 -30.24 71.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 62.5 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -81.86 -48.53 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.120000000000005 109.295 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.741 HG21 ' CG2' ' A' ' 4' ' ' THR . 25.1 t -56.76 -37.48 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 71.310000000000002 109.284 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.86 81.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 64.420000000000002 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.3 m-85 -62.13 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.319999999999993 111.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -54.12 -63.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.530000000000001 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.14 -19.16 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 73.510000000000005 110.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.95 -30.66 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 54.340000000000003 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.646 HG22 HE22 ' A' ' 137' ' ' GLN . 49.1 t -73.53 -27.07 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 61.109999999999999 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.7 mmt180 -75.64 -67.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 73.040000000000006 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.43 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 41.310000000000002 110.411 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.652 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -84.42 -65.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 74.040000000000006 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.495 ' N ' HD23 ' A' ' 133' ' ' LEU . 12.9 t -37.46 -46.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 62.530000000000001 109.969 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -54.69 -59.15 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.509999999999998 110.016 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -80.65 5.38 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.030000000000001 110.322 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 125' ' ' LEU . 28.8 t0 45.22 38.02 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 61.310000000000002 109.241 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.433 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 16.5 t0 -40.65 153.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.129999999999995 109.321 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -74.42 -6.52 48.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.32 109.597 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.39 -0.01 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 73.340000000000003 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -49.66 -66.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 70.549999999999997 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.718 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.84 -32.35 40.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 53.409999999999997 111.0 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.96 -34.88 79.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 72.510000000000005 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.105 HD13 ' CE2' ' A' ' 94' ' ' TRP . 65.3 tp -71.92 -38.93 69.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 62.119999999999997 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.646 HE22 HG22 ' A' ' 122' ' ' VAL . 41.5 mm-40 -61.62 -18.39 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 61.32 110.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.19 -14.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.420000000000002 109.328 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.06 -53.98 4.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 73.129999999999995 110.272 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.533 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -60.85 -14.98 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 53.210000000000001 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.0 mtm180 -90.9 -62.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.010000000000005 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.31 -22.26 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 71.329999999999998 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? -84.35 -78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 50.25 110.313 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.26 -55.16 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 108.312 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.17 68.28 0.83 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 72.129999999999995 111.006 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.972 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.78 -169.94 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.003 -1.11 . . . . 70.25 108.003 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.71 61.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 74.109999999999999 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.972 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.3 tt -70.12 -37.0 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.519999999999996 109.328 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.28 -29.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 54.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 128.39 -10.77 6.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.200000000000003 110.987 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -50.19 134.93 23.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 64.200000000000003 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.4 Cg_endo -74.99 0.13 9.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 51.409999999999997 111.034 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 110.27 -47.55 1.03 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 62.340000000000003 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.2 t -74.96 63.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 41.340000000000003 110.033 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 4.8 mm -135.31 134.82 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 75.5 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 61.439999999999998 110.303 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 16.7 p80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.632 -0.507 . . . . 75.140000000000001 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -99.25 125.9 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 64.340000000000003 111.034 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.41 172.73 12.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 53.43 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.4 t -89.92 100.35 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 54.100000000000001 108.33 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -121.37 -174.8 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.049999999999997 110.39 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.64 -85.5 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 74.040000000000006 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -75.03 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 71.400000000000006 110.967 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.52 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.0 t 179.95 175.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 45.25 109.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -67.28 -52.67 28.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.328 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -29.4 8.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 65.510000000000005 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -46.89 -44.49 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 53.25 110.061 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.95 -32.28 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 51.399999999999999 109.283 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.811 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -75.94 -32.76 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.349999999999994 110.986 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.34 -34.47 74.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 73.549999999999997 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.94 -29.67 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 72.319999999999993 109.331 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mt -58.41 -53.18 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 65.540000000000006 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.13 -5.24 52.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 64.549999999999997 110.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.62 17.96 19.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.731 . . . . 33.399999999999999 109.297 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.72 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.439999999999998 109.34 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.26 135.08 1.77 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 24.510000000000002 111.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' GLY . 42.0 tp60 -36.51 -64.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 73.319999999999993 110.312 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -38.6 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.219999999999999 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -49.12 -30.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 74.400000000000006 109.283 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.524 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.16 -65.02 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 75.120000000000005 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' CD2' ' HZ1' ' A' ' 27' ' ' LYS . 68.3 mt -42.74 -56.44 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.010000000000005 109.278 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.13 -59.2 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 72.099999999999994 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.986 HD21 ' OE1' ' A' ' 106' ' ' GLU . 10.4 mt -40.17 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 42.039999999999999 109.307 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.707 ' HE3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -46.22 -62.52 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 109.277 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HZ3' ' A' ' 27' ' ' LYS . 86.9 m-70 -41.51 -28.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 74.430000000000007 109.625 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.4 tttp -82.33 -53.99 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 70.340000000000003 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 40' ' ' GLN . 6.3 mp -56.54 -18.94 13.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 72.310000000000002 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.0 mmtt -35.75 -37.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 72.219999999999999 109.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 32' ' ' THR . 0.4 OUTLIER -109.76 112.86 58.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 51.399999999999999 110.356 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.06 41.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 72.140000000000001 111.018 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.1 mmm-85 -100.52 162.44 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.140000000000001 110.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.526 1.803 . . . . 51.32 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.99 29.18 9.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.142 . . . . 72.329999999999998 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.79 127.73 48.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 44.420000000000002 108.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -128.05 1.67 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 75.0 110.314 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 -26.84 7.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 63.32 111.002 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.789 ' O ' HD23 ' A' ' 30' ' ' LEU . 39.6 tt0 -79.3 -55.31 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 62.409999999999997 110.252 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.843 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.4 t0 -54.9 -37.63 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 62.210000000000001 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.77 -44.22 97.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.530000000000001 109.327 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -65.63 -34.11 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 71.299999999999997 109.273 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.3 t-160 -58.3 -22.25 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 75.319999999999993 109.558 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -90.59 -20.06 23.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.319999999999993 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 54.3 mtp -97.52 -7.82 30.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 HD23 ' A' ' 43' ' ' LEU . 19.8 t -92.08 -55.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.230000000000004 109.32 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.941 HD13 HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -40.1 -42.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.150000000000006 109.284 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.8 mt -53.01 -55.65 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.439999999999998 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.716 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 2.0 mmmp? -44.37 -27.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.439999999999998 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.941 HD12 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -85.8 -47.59 9.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 64.239999999999995 109.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.25 11.65 8.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 73.519999999999996 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.6 82.41 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 65.310000000000002 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.59 -19.04 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.430000000000007 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -38.44 -36.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 74.099999999999994 110.408 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.72 -44.38 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.209999999999994 110.321 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.42 -36.92 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 74.319999999999993 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -63.63 -48.12 78.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 63.450000000000003 110.327 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.29 -46.22 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.25 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -62.45 -46.66 87.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.099999999999994 110.018 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 70' ' ' ALA . 10.3 mt -57.56 -38.82 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.430000000000007 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 11.2 tt0 -71.24 -18.06 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 54.409999999999997 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -77.1 -2.31 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 41.210000000000001 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.843 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.7 mt -123.14 51.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 62.210000000000001 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 32.2 mtmt -62.14 -15.38 45.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 53.43 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -25.46 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 52.340000000000003 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.83 133.23 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 75.549999999999997 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -91.08 -2.1 57.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 74.420000000000002 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.872 HG22 ' HG2' ' A' ' 89' ' ' PRO . 73.8 t -84.51 -39.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 64.140000000000001 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -53.56 -56.88 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 61.420000000000002 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -53.51 -52.99 57.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 74.340000000000003 110.279 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 72' ' ' LEU . 1.3 tm? -63.01 -23.34 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 63.210000000000001 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.806 HG22 ' HZ3' ' A' ' 77' ' ' TRP . 5.8 t -92.53 -3.86 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 64.219999999999999 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.055 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.64 -37.72 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 62.329999999999998 109.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.7 HH21 ' HA ' ' A' ' 86' ' ' PRO . 4.2 ptt-85 -98.79 -6.25 29.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.099999999999994 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -89.49 -46.83 8.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 74.209999999999994 110.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.811 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.5 m-90 -106.03 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.099999999999994 108.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.055 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.18 -50.97 63.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.319999999999993 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 95.46 25.68 13.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 41.43 110.969 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.717 HG21 ' HB1' ' A' ' 74' ' ' ALA . 98.4 t -45.69 170.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 52.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.92 15.07 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.120000000000005 109.347 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 52.8 m -74.4 56.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 64.099999999999994 110.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.502 ' O ' ' O ' ' A' ' 84' ' ' GLU . 17.0 p -50.8 -15.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 63.420000000000002 110.436 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 83' ' ' THR . 19.8 mm-40 -40.19 167.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.340000000000003 110.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CB ' ' OE1' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -62.3 114.14 10.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 70.230000000000004 109.284 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.7 ' HA ' HH21 ' A' ' 75' ' ' ARG . 18.4 Cg_endo -74.98 54.61 3.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.496 1.787 . . . . 70.019999999999996 111.0 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' N ' ' OE1' ' A' ' 87' ' ' GLU . 1.8 mm-40 -60.02 -179.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 64.150000000000006 110.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -103.85 126.21 32.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 71.530000000000001 110.267 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.872 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 74.230000000000004 111.051 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 61.299999999999997 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.656 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.54 24.64 10.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 73.040000000000006 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -42.92 -43.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 74.319999999999993 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.5 t -103.05 -38.5 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 73.209999999999994 110.017 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.061 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -46.05 -57.21 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 71.540000000000006 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -49.51 -32.29 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.109999999999999 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' C ' ' A' ' 7' ' ' SER . 5.8 t -76.6 -32.31 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 65.209999999999994 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 73.049999999999997 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.563 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 9.2 mtt180 -75.13 -26.5 59.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.310000000000002 110.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.701 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.9 tt -73.65 -54.93 6.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.430000000000007 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m-85 -62.6 -23.07 66.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 61.229999999999997 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -65.04 -21.86 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.209999999999994 109.58 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -96.85 -26.13 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.519999999999996 109.298 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 43' ' ' LEU . 91.0 mt -70.65 -18.06 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.109999999999999 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ALA . . . . . 0.838 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -83.72 -2.36 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 70.140000000000001 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -99.58 -16.85 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.019999999999996 110.261 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.986 ' OE1' HD21 ' A' ' 26' ' ' LEU . 1.5 pt-20 -106.94 -1.23 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 72.109999999999999 110.269 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt 70.43 30.22 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.420000000000002 109.326 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 18.9 mt -88.43 -27.93 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 34.229999999999997 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.488 ' SG ' HD13 ' A' ' 113' ' ' LEU . 4.5 t -160.3 138.54 7.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 60.030000000000001 108.278 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -74.98 145.33 31.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 60.140000000000001 111.023 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' SG ' ' A' ' 144' ' ' CYS . . . -47.63 -24.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 54.32 109.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 110' ' ' PRO . 1.2 m -37.81 -45.97 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 54.310000000000002 110.044 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.488 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.9 mp -76.33 -52.27 10.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.219999999999999 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.838 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.3 ttm180 -38.14 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 73.040000000000006 110.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.476 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 0.5 OUTLIER -75.17 -63.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.200000000000003 109.311 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.97 -40.94 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 61.009999999999998 109.281 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -61.37 -57.26 13.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.209999999999994 109.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.891 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.1 m-85 -48.52 -40.13 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.420000000000002 110.972 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.451 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.6 mt-30 -57.74 -45.95 85.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 65.230000000000004 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.73 -10.53 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 53.530000000000001 110.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.572 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -96.97 -29.91 13.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.099999999999994 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.49 -30.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 63.439999999999998 109.338 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -33.05 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.329999999999998 110.343 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -77.8 -36.73 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 73.010000000000005 110.373 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -80.12 -34.56 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 72.019999999999996 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.7 t -70.32 -40.72 74.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 52.32 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.4 p -60.73 -43.5 97.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 73.230000000000004 110.01 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.5 ptt85 -95.61 1.81 53.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.109999999999999 110.278 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.2 t0 44.17 48.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.530000000000001 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.49 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.1 t0 -50.08 177.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.129999999999995 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -93.79 -0.37 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.430000000000007 109.519 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.49 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -116.04 -1.43 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 75.230000000000004 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.4 tm? -48.86 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 61.350000000000001 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.771 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.84 -33.5 13.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 74.549999999999997 111.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -33.32 73.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 74.519999999999996 110.302 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 94' ' ' TRP . 58.9 tp -72.31 -41.09 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 62.420000000000002 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.785 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.8 mm-40 -63.18 -14.59 50.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 71.310000000000002 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.58 -4.35 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 73.109999999999999 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 7.6 tt0 -99.4 -45.49 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 54.340000000000003 110.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.21 -13.01 62.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.229999999999997 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 145' ' ' GLY . 48.5 mtm180 -94.28 -60.15 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.340000000000003 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -21.85 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.219999999999999 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.9 mmp_? -84.99 -77.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.209999999999994 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.624 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -65.87 -55.54 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 63.140000000000001 108.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.27 67.73 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 73.019999999999996 111.026 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.968 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -170.7 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.003 -1.11 . . . . 74.340000000000003 108.003 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.39 61.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.409999999999997 109.335 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.968 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -70.2 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.099999999999994 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.785 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -80.63 2.51 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 44.329999999999998 109.282 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 70.97 15.1 73.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 32.299999999999997 110.987 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.9 163.75 0.63 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 72.140000000000001 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 64.420000000000002 110.969 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.67 60.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 41.119999999999997 111.014 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m 65.53 29.69 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 63.299999999999997 109.993 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.883 HD12 ' N ' ' A' ' 156' ' ' ARG . 1.3 pp -92.24 -175.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 75.420000000000002 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.883 ' N ' HD12 ' A' ' 155' ' ' ILE . 9.5 ptt-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.109999999999999 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.564 -0.532 . . . . 62.310000000000002 109.564 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.1 168.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 70.239999999999995 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.88 144.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 65.129999999999995 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.4 t -109.56 71.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 74.310000000000002 108.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 m -72.45 155.81 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 61.310000000000002 110.42 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.18 -83.04 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 52.009999999999998 111.015 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.541 1.811 . . . . 65.230000000000004 110.986 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -179.94 172.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.040000000000006 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.668 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -67.58 -52.13 28.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.120000000000005 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.03 -26.33 10.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 63.340000000000003 111.012 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.439 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 20.3 m -49.8 -45.71 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 75.25 110.022 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.03 -31.85 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 64.319999999999993 109.263 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -76.28 -31.72 58.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 61.219999999999999 111.033 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.96 -40.34 72.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.329999999999998 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.885 HG21 ' SG ' ' A' ' 109' ' ' CYS . 10.8 mt -69.23 -19.27 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 72.049999999999997 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.833 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.48 -56.27 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 54.140000000000001 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE3' ' A' ' 50' ' ' LYS . . . -66.7 -8.81 49.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 75.219999999999999 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.91 16.45 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 73.420000000000002 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.07 -77.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 71.299999999999997 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.792 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.94 137.36 2.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 70.400000000000006 111.014 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -42.9 -48.27 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 73.25 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.2 -28.35 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 72.299999999999997 109.33 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.68 -26.37 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 53.43 109.256 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.39 -55.49 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 41.420000000000002 109.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.591 ' CD2' HD13 ' A' ' 51' ' ' LEU . 77.4 mt -47.64 -41.68 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 72.150000000000006 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -62.83 -75.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 75.349999999999994 111.005 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 50.8 mt -39.09 -38.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 70.409999999999997 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -54.42 -55.98 23.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.319999999999993 109.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.436 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 36.8 m80 -64.45 -12.15 40.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 73.340000000000003 109.547 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.79 -39.44 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.140000000000001 109.343 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -69.43 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.530000000000001 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 23.8 mmtt -39.06 -31.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 73.209999999999994 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.8 m -114.69 90.54 22.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 72.319999999999993 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.44 42.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 72.019999999999996 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -95.47 165.27 17.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 73.209999999999994 110.309 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.56 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 73.239999999999995 111.017 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.63 6.05 33.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 65.319999999999993 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.62 124.69 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.257 -1.016 . . . . 64.140000000000001 108.257 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -122.0 -4.71 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 75.219999999999999 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.94 -33.6 3.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 55.409999999999997 111.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HG2' HD22 ' A' ' 30' ' ' LEU . 1.1 tt0 -72.96 -62.23 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 64.340000000000003 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.7 t0 -54.57 -41.76 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 61.329999999999998 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.85 -55.49 29.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 54.530000000000001 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD11 ' A' ' 15' ' ' LEU . 4.0 tp -56.22 -31.57 63.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 70.310000000000002 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.7 t-160 -56.94 -28.28 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 73.430000000000007 109.595 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -84.93 -23.02 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 61.420000000000002 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.607 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 48.6 mtp -91.19 -8.61 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.439999999999998 110.977 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.6 t -93.88 -53.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.229999999999997 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.1 mm? -40.22 -45.43 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.420000000000002 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.4 mt -51.86 -57.86 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 54.149999999999999 109.319 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' CA ' ' A' ' 16' ' ' GLY . 21.7 mmtt -42.81 -28.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 73.299999999999997 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.671 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -84.88 -45.56 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 53.240000000000002 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.94 18.25 6.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 44.240000000000002 110.995 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.76 81.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 71.400000000000006 110.293 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -71.8 -18.91 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 63.399999999999999 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.61 -38.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 63.329999999999998 110.38 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.2 mm-40 -82.48 -47.77 11.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 73.329999999999998 110.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -42.38 -40.14 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 73.010000000000005 109.317 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -62.07 -47.53 84.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 72.400000000000006 110.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -54.73 -59.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.25 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -51.52 -45.78 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 73.450000000000003 110.053 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.4 mt -55.25 -39.53 69.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 51.420000000000002 109.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.85 -18.18 59.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 54.240000000000002 110.275 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.87 -4.37 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 52.549999999999997 109.294 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -122.62 54.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.43 109.31 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -55.06 -22.54 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 74.25 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.71 -59.31 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 43.32 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.24 120.31 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.230000000000004 109.311 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . . . -81.58 -1.54 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 61.310000000000002 109.283 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' ASP . 2.9 t -93.96 -7.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 60.100000000000001 109.327 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.708 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -88.56 -19.33 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.129999999999995 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -89.27 -30.63 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 63.43 110.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.695 HD23 ' NH2' ' A' ' 75' ' ' ARG . 1.9 tm? -82.88 -37.41 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 61.420000000000002 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.766 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.8 t -70.66 -4.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.430000000000007 109.299 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB1' HG21 ' A' ' 80' ' ' VAL . . . -79.83 -63.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 63.140000000000001 109.304 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.695 ' NH2' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -78.41 -7.5 57.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 64.219999999999999 110.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp60 -84.97 -43.97 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 62.200000000000003 110.282 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.793 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.6 m-90 -117.08 -59.55 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 74.140000000000001 108.04 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.26 -24.94 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 62.310000000000002 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 67.88 26.43 73.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 53.43 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.881 HG21 ' HB1' ' A' ' 74' ' ' ALA . 97.1 t -45.61 169.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 75.230000000000004 109.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.583 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -83.8 16.23 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.530000000000001 109.338 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 26.3 m -75.64 54.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 72.409999999999997 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 84' ' ' GLU . 14.7 p -47.6 -20.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 63.229999999999997 110.425 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 83' ' ' THR . 44.7 mt-10 -38.16 159.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 54.530000000000001 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -49.12 142.18 10.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 74.540000000000006 109.312 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.76 3.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 63.130000000000003 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' A' ' 88' ' ' GLU . 2.4 tp10 -54.02 132.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.140000000000001 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HB3' HG11 ' A' ' 92' ' ' VAL . 7.0 mt-10 -92.86 128.63 42.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 75.519999999999996 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.99 165.4 31.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 50.350000000000001 110.999 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.09 7.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 60.229999999999997 110.994 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.636 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -116.94 25.71 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 52.130000000000003 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -48.71 -79.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 73.329999999999998 109.306 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.488 ' H ' HG23 ' A' ' 92' ' ' VAL . 47.3 m -65.66 -49.28 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 53.520000000000003 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.6 t90 -40.63 -65.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.219999999999999 107.973 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.47 -56.67 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 73.430000000000007 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 92' ' ' VAL . 26.3 t -46.05 -39.53 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.068 . . . . 72.340000000000003 109.314 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -70.87 -36.95 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 63.049999999999997 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.644 HH21 ' CD ' ' A' ' 139' ' ' GLU . 3.1 mtt180 -75.31 -19.22 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.310000000000002 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.742 HD11 HD13 ' A' ' 43' ' ' LEU . 1.7 tp -83.62 -41.29 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 74.019999999999996 109.354 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.905 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -72.07 -37.23 69.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 71.510000000000005 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.4 t-80 -47.12 -25.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 70.530000000000001 109.578 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 5.7 mt -92.4 -34.17 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 64.349999999999994 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.502 HD11 ' HB1' ' A' ' 11' ' ' ALA . 97.1 mt -64.96 -13.55 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.549999999999997 109.293 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.4 -11.83 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 65.329999999999998 109.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.439999999999998 110.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.89 -18.14 29.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 75.140000000000001 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 77.5 30.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.510000000000005 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.9 mt -99.94 -34.03 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.319999999999993 109.314 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.885 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.4 m -137.32 149.38 65.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.420000000000002 108.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 72.239999999999995 110.976 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ALA . . . . . 0.529 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.24 -6.14 46.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.329999999999998 109.276 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 78.3 p -65.24 -44.58 87.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.030000000000001 109.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.716 HD23 ' HE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -64.86 -36.93 85.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 75.310000000000002 109.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.1 ttp180 -53.45 -29.58 36.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.219999999999999 110.31 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 7.6 m-20 -81.13 -67.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 50.520000000000003 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -40.79 -37.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 74.420000000000002 109.322 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.98 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 64.340000000000003 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 m-85 -53.15 -42.86 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.200000000000003 110.965 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -53.78 -54.45 38.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 71.310000000000002 110.26 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.32 -18.61 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 64.340000000000003 110.269 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.519 ' O ' HD23 ' A' ' 125' ' ' LEU . . . -100.06 -23.67 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.530000000000001 109.266 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.674 HG13 ' OE1' ' A' ' 137' ' ' GLN . 17.7 t -80.65 -24.65 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.349999999999994 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -90.08 -28.24 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 61.299999999999997 110.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.517 HG23 HD22 ' A' ' 125' ' ' LEU . 2.0 t -76.97 -36.74 56.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.32 110.433 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 121' ' ' ALA . 2.0 mm? -72.44 -38.17 68.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 70.430000000000007 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.3 m -75.17 -51.06 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 70.230000000000004 110.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 t -48.32 -37.27 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.340000000000003 109.979 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.531 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -97.4 -18.44 19.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 73.209999999999994 110.295 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.1 m-20 59.76 61.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 72.150000000000006 109.279 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.531 ' CG ' HH21 ' A' ' 128' ' ' ARG . 33.5 t0 -75.48 178.14 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 61.32 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -88.03 -8.42 55.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 65.230000000000004 109.621 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.3 OUTLIER -108.96 9.01 26.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.329999999999998 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -60.67 -67.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 62.399999999999999 109.287 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.87 -19.83 7.41 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 60.310000000000002 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.9 -31.04 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 73.340000000000003 110.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.7 tp -74.36 -37.64 63.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.674 ' OE1' HG13 ' A' ' 122' ' ' VAL . 44.8 mm-40 -63.17 -19.66 64.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 74.450000000000003 110.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.42 -2.99 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.049999999999997 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.644 ' CD ' HH21 ' A' ' 98' ' ' ARG . 5.8 tt0 -97.97 -46.21 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 63.100000000000001 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -69.41 -15.65 63.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 71.219999999999999 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 16.2 mtm180 -95.5 -61.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.400000000000006 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -49.79 -23.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 62.340000000000003 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.6 mmp_? -85.94 -79.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 72.129999999999995 110.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.88 -56.25 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 64.230000000000004 108.308 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.92 70.21 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 74.109999999999999 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.957 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.6 -170.68 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 75.540000000000006 107.984 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.0 62.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 74.349999999999994 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.957 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.4 tt -74.84 -28.03 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 52.020000000000003 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -62.33 -16.48 54.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 64.319999999999993 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 98.42 20.75 19.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 70.209999999999994 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.59 155.12 41.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 73.340000000000003 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -11.6 21.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 73.439999999999998 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 121.17 -43.11 1.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 71.099999999999994 110.98 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t 167.01 106.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 64.549999999999997 110.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 156' ' ' ARG . 5.3 mm -121.96 163.85 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.120000000000005 109.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' ARG . . . . . 0.463 ' N ' HG22 ' A' ' 155' ' ' ILE . 5.7 tmm_? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 61.439999999999998 110.284 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 71.519999999999996 109.598 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt -147.05 -178.63 6.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 63.420000000000002 111.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.3 101.74 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 41.109999999999999 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 t -171.37 171.16 5.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 71.329999999999998 108.329 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -39.39 148.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 75.049999999999997 110.386 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.65 -67.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 74.439999999999998 110.955 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.678 ' HD3' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.0 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 64.209999999999994 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 171.43 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.25 110.043 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.858 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER 175.99 -57.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 61.340000000000003 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -29.68 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 72.239999999999995 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -48.8 -47.78 41.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 62.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . . . -61.72 -40.0 93.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.420000000000002 109.323 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 64.5 110.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -63.84 -45.61 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.340000000000003 109.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ILE . . . . . 0.844 HG21 ' SG ' ' A' ' 109' ' ' CYS . 21.3 mt -68.24 -20.09 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 46' ' ' MET . 2.7 tp -75.33 -38.47 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.049999999999997 109.273 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' CE ' ' A' ' 50' ' ' LYS . . . -84.14 8.39 67.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 73.420000000000002 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.62 12.64 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 74.349999999999994 109.306 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.785 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.55 -77.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 61.229999999999997 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 177.42 137.56 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 62.439999999999998 111.019 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . 5.6 tp-100 -36.38 -64.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 62.509999999999998 110.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LEU . 3.3 t70 -62.1 -40.22 95.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.519999999999996 109.245 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.785 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -41.55 -31.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 61.43 109.279 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.688 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.92 -45.62 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 72.340000000000003 109.344 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.486 HD22 HD11 ' A' ' 51' ' ' LEU . 3.7 mm? -55.93 -53.46 56.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 54.43 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 1.3 t80 -50.9 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 73.519999999999996 111.018 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 87.3 mt -47.46 -37.42 11.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 55.530000000000001 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.599 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.37 -43.98 92.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.099999999999994 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.599 ' CE1' ' HE3' ' A' ' 27' ' ' LYS . 39.9 m80 -79.27 -7.0 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 72.049999999999997 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -87.36 -51.55 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 74.030000000000001 109.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.679 HD23 ' N ' ' A' ' 30' ' ' LEU . 2.2 mt -52.57 -21.3 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 44.439999999999998 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 mmtp -37.66 -33.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 74.140000000000001 109.284 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.8 m -114.08 91.78 24.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 22.420000000000002 110.396 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.86 36.3 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 64.230000000000004 110.959 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' CD ' ' N ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -99.08 166.07 13.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 65.409999999999997 110.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.75 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.479 1.778 . . . . 64.109999999999999 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.87 11.53 39.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.0 p -69.84 127.07 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.26 -1.015 . . . . 63.200000000000003 108.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -125.3 -0.57 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 70.329999999999998 110.335 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.59 -29.01 4.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 31.129999999999999 110.992 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.494 ' CG ' HD22 ' A' ' 30' ' ' LEU . 3.0 tt0 -78.82 -64.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 63.450000000000003 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.764 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.7 t0 -47.14 -42.51 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 65.239999999999995 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 69' ' ' VAL . 15.4 tp -62.47 -49.73 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 70.109999999999999 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.8 tp -59.2 -30.45 68.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 62.149999999999999 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.596 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.3 t-160 -65.27 -19.72 66.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 63.25 109.587 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -90.7 -20.72 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 62.119999999999997 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 99' ' ' LEU . 66.7 mtp -94.02 -18.99 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 72.109999999999999 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 43' ' ' LEU . 35.5 t -88.84 -45.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.099999999999994 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.622 ' HA ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -46.5 -35.14 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 70.340000000000003 109.285 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.2 mp -67.98 -40.84 83.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 72.420000000000002 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 1.8 mmmp? -51.75 -22.04 3.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.010000000000005 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -95.59 -50.87 4.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 65.129999999999995 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.27 30.35 1.92 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 73.409999999999997 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.17 59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 73.409999999999997 110.308 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -51.34 -21.35 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 74.530000000000001 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.04 -31.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 53.329999999999998 110.409 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -89.64 -49.97 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 61.25 110.348 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -40.81 -37.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 73.129999999999995 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -64.99 -50.27 66.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 75.450000000000003 110.292 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.96 -42.02 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 74.209999999999994 109.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.23 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 74.430000000000007 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 74' ' ' ALA . 5.1 mt -53.83 -37.43 63.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 60.420000000000002 109.355 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.92 -32.45 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 75.120000000000005 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -8.65 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 63.439999999999998 109.333 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.43 45.76 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.030000000000001 109.301 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -15.27 29.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 72.549999999999997 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.0 -21.97 27.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 75.120000000000005 109.339 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.71 104.8 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 54.420000000000002 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -60.94 -15.03 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.129999999999995 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.686 HG21 ' O ' ' A' ' 91' ' ' ASP . 0.9 OUTLIER -76.03 -36.9 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 61.450000000000003 109.279 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.582 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -63.09 -70.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.119999999999997 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -48.72 -22.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.140000000000001 110.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.801 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -86.76 -33.26 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 71.409999999999997 109.251 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.902 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 9.9 t -78.67 -6.47 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.319999999999993 109.282 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.107 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -84.9 -36.35 21.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 54.030000000000001 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HD2' ' CB ' ' A' ' 82' ' ' SER . 7.6 ptt-85 -98.7 -3.63 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 75.200000000000003 110.244 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.554 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 5.2 tp-100 -93.04 -45.53 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 53.340000000000003 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.902 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.8 m-90 -106.78 -62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.230000000000004 108.004 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -44.58 -45.1 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.109999999999999 109.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 96.5 19.25 28.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 43.43 110.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 74' ' ' ALA . 88.1 t -46.08 170.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 65.230000000000004 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.587 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -76.03 4.86 7.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 62.43 109.326 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 70.3 p 53.58 54.24 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 74.329999999999998 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 p -49.69 -21.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 62.240000000000002 110.364 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.96 -168.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 74.310000000000002 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -88.23 122.09 70.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 75.409999999999997 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 70.530000000000001 111.01 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -146.14 138.02 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 54.329999999999998 110.268 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' HG2' HG21 ' A' ' 92' ' ' VAL . 20.6 mt-10 -47.42 120.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 74.129999999999995 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 170.71 19.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 62.229999999999997 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.57 11.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 64.219999999999999 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.686 ' O ' HG21 ' A' ' 69' ' ' VAL . 3.8 m-20 -118.64 27.94 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.239999999999995 109.254 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.778 HG22 HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.94 -40.88 84.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 73.019999999999996 109.291 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 1.4 m -95.16 -24.51 16.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 73.019999999999996 110.025 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 1.103 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.9 t90 -74.62 -70.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 72.329999999999998 108.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -39.76 -55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -56.12 -50.66 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 74.439999999999998 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 93' ' ' SER . . . -51.55 -33.1 30.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.450000000000003 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 31.4 mtt180 -81.56 -23.65 37.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 72.120000000000005 110.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 46' ' ' MET . 1.3 tt -73.15 -43.62 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.530000000000001 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 6.9 m-85 -69.57 -14.94 63.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 73.150000000000006 110.966 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.82 -22.8 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 63.229999999999997 109.592 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -95.15 -32.95 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.099999999999994 109.298 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.713 HD13 ' SG ' ' A' ' 109' ' ' CYS . 12.5 mt -61.77 -28.84 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 73.409999999999997 109.314 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.11 -9.96 58.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 62.009999999999998 109.254 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -99.78 -20.68 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.420000000000002 110.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -89.05 -17.22 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.140000000000001 110.332 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp 76.02 30.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 62.32 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.54 -37.08 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.540000000000006 109.26 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' CYS . . . . . 0.844 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -136.01 150.88 72.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 65.299999999999997 108.302 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 51.420000000000002 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.04 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.400000000000006 109.286 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.4 m -53.75 -47.12 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.409999999999997 110.004 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' A' ' 6' ' ' PRO . 2.0 mm? -62.42 -41.84 99.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.439999999999998 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.0 ttp180 -56.31 -33.81 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.510000000000005 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.519 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.8 OUTLIER -81.78 -66.03 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 61.109999999999999 109.268 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 112' ' ' SER . 38.6 t -40.2 -39.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.129999999999995 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -64.61 -57.86 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 60.299999999999997 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.4 m-85 -49.41 -46.57 47.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.409999999999997 111.043 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 122' ' ' VAL . 81.7 mt-30 -49.57 -66.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 71.299999999999997 110.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.71 -24.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.209999999999994 110.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -78.44 -46.43 19.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.409999999999997 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.5 m -61.52 -24.44 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 51.310000000000002 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 125' ' ' LEU . 30.6 mmt180 -75.89 -70.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 70.349999999999994 110.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -43.43 -27.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.109999999999999 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.566 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 6.2 mt -86.07 -46.54 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 61.119999999999997 109.267 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.5 t -55.19 -51.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.420000000000002 110.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -54.01 42.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.230000000000004 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.439 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.01 4.75 16.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 74.310000000000002 110.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 m-20 40.25 36.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 73.129999999999995 109.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.439 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 12.5 t0 -40.16 157.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 73.129999999999995 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.89 3.3 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 61.439999999999998 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.87 -7.79 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.540000000000006 110.278 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -45.19 -69.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 72.040000000000006 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.43 -34.25 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 65.120000000000005 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.71 -30.6 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 71.319999999999993 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 1.103 HD13 ' CE2' ' A' ' 94' ' ' TRP . 39.9 tp -74.7 -40.39 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.450000000000003 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.812 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 45.9 mm-40 -63.01 -12.11 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 74.120000000000005 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -105.75 -21.25 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.519999999999996 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.05 -61.2 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 63.530000000000001 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -51.19 -21.78 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.219999999999999 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 35.0 mtm180 -85.35 -59.24 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.430000000000007 110.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.658 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.9 OUTLIER -50.01 -22.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.430000000000007 109.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.658 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.7 mmp_? -83.66 -79.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.409999999999997 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -65.0 -55.24 20.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.219999999999999 108.254 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.57 62.5 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 70.310000000000002 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.892 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.03 -169.43 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 73.230000000000004 108.022 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.49 59.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 71.120000000000005 109.288 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.892 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.7 tt -61.99 -34.46 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 74.430000000000007 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.812 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.19 -21.98 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.019999999999996 109.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 97.06 18.66 28.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 74.329999999999998 110.956 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ASP . . . . . 0.444 ' CG ' HD11 ' A' ' 155' ' ' ILE . 15.3 m-20 -86.37 165.16 34.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 64.230000000000004 109.302 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.3 Cg_endo -74.99 0.38 8.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 64.219999999999999 110.994 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 56.02 21.36 31.0 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 63.200000000000003 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.74 17.18 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 72.310000000000002 109.983 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 155' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 2.4 pp -131.57 150.66 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 54.439999999999998 109.265 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.340000000000003 110.306 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.606 -0.516 . . . . 64.120000000000005 109.606 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -126.93 151.78 48.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.209999999999994 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.01 178.46 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 52.340000000000003 109.258 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.68 43.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 72.030000000000001 108.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -98.54 171.41 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 43.009999999999998 110.416 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.13 -83.69 1.73 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 63.030000000000001 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.94 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 61.240000000000002 111.034 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -170.14 179.51 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 43.149999999999999 109.967 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.78 -52.42 17.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 73.430000000000007 109.285 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 -32.94 4.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 74.239999999999995 111.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . 0.422 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 73.8 m -44.15 -48.44 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 70.049999999999997 110.001 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.41 -41.14 88.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.510000000000005 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -63.54 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.299999999999997 110.956 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.71 -50.0 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.450000000000003 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.11 -18.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.319999999999993 109.329 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 46' ' ' MET . 1.9 tp -75.78 -33.59 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 72.540000000000006 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.71 8.44 75.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 72.519999999999996 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.5 17.15 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 60.130000000000003 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.1 -75.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 74.230000000000004 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 174.29 139.36 2.95 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 73.239999999999995 111.012 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' GLY . 12.7 tp60 -36.69 -64.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 72.400000000000006 110.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -58.7 -41.33 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.040000000000006 109.298 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptt -44.19 -33.28 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 75.530000000000001 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.19 -59.72 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.019999999999996 109.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' CD2' ' HZ3' ' A' ' 27' ' ' LYS . 48.5 mt -46.54 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 63.340000000000003 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 29' ' ' LYS . 5.8 t80 -35.91 -67.44 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 62.450000000000003 110.999 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' LYS . 15.3 mt -40.76 -56.41 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 71.5 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 51' ' ' LEU . 3.0 ttpt -46.44 -64.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.239999999999995 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 54.1 m-70 -63.51 -9.54 13.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 72.510000000000005 109.623 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -91.18 -26.68 18.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 71.540000000000006 109.32 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LEU . . . . . 0.661 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.3 mt -90.42 -20.9 22.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 51.409999999999997 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 18.4 mmtt -36.43 -33.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 61.210000000000001 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.535 HG22 ' O ' ' A' ' 32' ' ' THR . 0.3 OUTLIER -105.64 107.67 59.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 72.450000000000003 110.35 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 135.79 19.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 64.530000000000001 111.022 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.0 165.16 33.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 54.229999999999997 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 63.450000000000003 110.986 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.44 12.77 37.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 72.030000000000001 111.029 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.92 115.2 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 65.530000000000001 108.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -119.15 -9.65 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.219999999999999 110.312 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.87 -39.5 1.85 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.473 1.108 . . . . 44.439999999999998 110.963 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.641 ' CG ' HD22 ' A' ' 30' ' ' LEU . 9.4 tt0 -61.68 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 74.349999999999994 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASP . . . . . 0.858 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.2 t0 -48.13 -40.29 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.030000000000001 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 73' ' ' VAL . 18.7 tp -60.78 -52.27 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 72.420000000000002 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.977 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.4 tp -58.5 -27.96 64.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.209999999999994 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' HIS . . . . . 0.624 ' O ' HD23 ' A' ' 48' ' ' LEU . 5.5 t-160 -62.09 -24.13 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.130000000000003 109.581 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.27 -18.3 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 72.5 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' MET . . . . . 0.702 ' O ' HD21 ' A' ' 15' ' ' LEU . 26.6 mtp -98.71 -12.77 20.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 72.329999999999998 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 43' ' ' LEU . 85.0 t -86.7 -57.84 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 63.350000000000001 109.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.7 mm? -41.27 -43.96 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 73.319999999999993 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 4.9 mt -53.27 -48.56 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.439999999999998 109.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.643 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 1.7 mmmp? -48.1 -24.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 52.030000000000001 109.334 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD12 HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -96.46 -32.29 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 74.099999999999994 109.339 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 102.62 8.27 43.44 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.164 . . . . 71.239999999999995 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 51' ' ' LEU . 1.5 pt20 -111.31 70.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 74.340000000000003 110.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.3 pt-20 -66.33 -18.55 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.299999999999997 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.25 -34.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 74.530000000000001 110.394 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 -43.47 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 75.230000000000004 110.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -46.17 -36.67 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 62.130000000000003 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -66.4 -51.39 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 72.5 110.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.58 -52.26 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 64.120000000000005 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -48.91 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.299999999999997 110.056 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 18.0 mt -56.31 -40.23 74.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 71.209999999999994 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.72 -14.12 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 65.239999999999995 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.8 10.66 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 65.540000000000006 109.32 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.858 HD21 ' CB ' ' A' ' 41' ' ' ASP . 13.4 mt -122.94 52.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 72.409999999999997 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -55.55 -19.74 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.400000000000006 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -54.88 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 43.140000000000001 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . 0.76 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -68.69 128.92 38.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.200000000000003 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.37 -13.14 35.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 63.219999999999999 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.8 HG22 ' HG2' ' A' ' 89' ' ' PRO . 33.3 t -76.03 -13.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.030000000000001 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.17 -54.0 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 55.409999999999997 109.294 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.94 -14.06 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.430000000000007 110.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.829 HD22 ' O ' ' A' ' 72' ' ' LEU . 0.3 OUTLIER -99.2 -30.84 12.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.129999999999995 109.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.818 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 15.1 t -82.35 -6.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 73.25 109.274 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 1.026 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.03 -36.07 19.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 75.400000000000006 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.75 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.3 ptt-85 -98.63 -6.4 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.019999999999996 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.2 tp-100 -89.99 -44.59 9.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 71.420000000000002 110.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.818 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.0 m-90 -107.58 -58.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 62.340000000000003 108.024 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -55.79 -45.36 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 41.009999999999998 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 78.34 40.95 18.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 74.129999999999995 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 81' ' ' ASP . 16.3 m -61.01 -145.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 73.109999999999999 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.4 t0 -100.89 24.48 9.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 53.32 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' SER . . . . . 0.51 ' H ' HG23 ' A' ' 80' ' ' VAL . 81.0 p 36.48 50.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 64.329999999999998 109.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.75 -25.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.230000000000004 110.373 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 3.4 mt-10 -104.49 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.439999999999998 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.446 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -86.51 169.68 14.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.420000000000002 109.314 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.42 21.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 74.25 110.966 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 139.75 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 74.120000000000005 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.59 146.59 69.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 71.310000000000002 110.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PRO . . . . . 0.8 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.01 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 54.32 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.46 19.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 63.509999999999998 110.986 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.771 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -119.25 24.53 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 71.5 109.31 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.19 -40.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 41.32 109.291 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' VAL . 3.2 m -106.45 -40.83 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 72.530000000000001 109.994 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CZ3' HD21 ' A' ' 125' ' ' LEU . 3.3 t90 -43.06 -54.73 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 73.049999999999997 108.017 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 69' ' ' VAL . . . -52.6 -41.04 63.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 75.129999999999995 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' SER . 21.6 t -62.96 -35.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 70.450000000000003 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' ALA . . . . . 0.531 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -73.1 -29.84 63.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.340000000000003 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 15.9 mtt180 -86.4 -18.21 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 73.299999999999997 110.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -83.95 -46.44 12.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 65.439999999999998 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.979 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -71.02 -7.06 43.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.329999999999998 110.987 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -79.51 -17.06 54.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 74.040000000000006 109.581 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 40' ' ' GLN . 1.5 mt -97.11 -36.61 10.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 70.439999999999998 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 108' ' ' LEU . 34.5 mt -62.16 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.450000000000003 109.284 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.23 -10.71 60.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.119999999999997 109.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.58 -19.65 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.430000000000007 110.339 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 106' ' ' GLU . 0.7 OUTLIER -90.23 -17.22 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 71.530000000000001 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 77.37 54.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 71.140000000000001 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 103' ' ' LEU . 88.7 mt -117.87 -39.57 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.099999999999994 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.76 155.8 80.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.040000000000006 108.338 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.12 42.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 73.349999999999994 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -14.75 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.32 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.1 m -60.79 -46.04 92.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 74.230000000000004 109.991 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.92 -43.46 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 71.310000000000002 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.469 ' CD ' ' SG ' ' A' ' 144' ' ' CYS . 3.7 ttp180 -50.67 -34.91 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.230000000000004 110.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.463 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 4.2 m-20 -74.33 -68.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 71.319999999999993 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HD2' ' A' ' 6' ' ' PRO . 62.6 t -40.05 -35.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.409999999999997 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.73 -57.32 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.340000000000003 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' TYR . . . . . 0.708 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 5.7 m-85 -51.37 -48.15 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.150000000000006 110.974 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 122' ' ' VAL . 78.7 mt-30 -45.31 -63.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 63.340000000000003 110.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -45.99 -25.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 73.200000000000003 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ALA . . . . . 0.83 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -76.72 -46.77 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 74.530000000000001 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' VAL . . . . . 0.88 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -60.25 -24.39 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.219999999999999 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' LEU . 25.0 mmt180 -78.04 -69.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 74.219999999999999 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -39.92 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 62.240000000000002 110.389 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LEU . . . . . 0.671 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -87.59 -58.91 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 64.239999999999995 109.318 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.2 t -41.22 -43.28 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 71.299999999999997 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 t -57.64 -57.51 12.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 73.099999999999994 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.95 5.88 14.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 75.040000000000006 110.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.1 m-20 43.09 36.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.140000000000001 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ASP . . . . . 0.406 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 11.7 t0 -41.47 153.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.019999999999996 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -76.75 -3.67 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.299999999999997 109.593 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.53 -1.25 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.400000000000006 110.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.65 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -52.83 -69.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 73.140000000000001 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . 0.65 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.62 -34.48 10.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 41.109999999999999 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.55 -35.3 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 73.420000000000002 110.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' LEU . . . . . 0.88 HD22 HG12 ' A' ' 122' ' ' VAL . 5.4 tt -71.47 -40.04 70.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 52.130000000000003 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLN . . . . . 0.809 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 48.2 mm-40 -63.14 -11.11 17.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 64.329999999999998 110.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 138' ' ' ASP . . . . . 0.463 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 31.0 t0 -107.9 -7.43 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 70.430000000000007 109.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 141' ' ' ARG . 26.5 tt0 -100.51 -51.85 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 70.120000000000005 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 140' ' ' ALA . . . . . 0.872 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -47.29 -24.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.340000000000003 109.253 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.4 ptp180 -94.86 -44.52 7.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 71.099999999999994 110.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 142' ' ' ASN . . . . . 0.518 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 25.8 t-20 -65.36 -9.69 26.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.120000000000005 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' ARG . . . . . 0.503 ' CB ' ' OH ' ' A' ' 118' ' ' TYR . 15.2 mmp_? -103.92 -41.12 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 63.109999999999999 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -103.27 -56.48 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 72.540000000000006 108.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 145' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 107.58 70.27 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.41 1.069 . . . . 73.140000000000001 110.986 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 146' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.5 OUTLIER -156.67 -172.69 4.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 75.019999999999996 108.006 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.29 63.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.310000000000002 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' ILE . . . . . 0.872 HG21 ' HB3' ' A' ' 140' ' ' ALA . 5.3 tt -64.41 -23.49 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 71.530000000000001 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -73.78 -4.11 32.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 62.399999999999999 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 78.29 29.74 52.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.129999999999995 110.98 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.16 158.77 74.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 74.010000000000005 109.264 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.39 12.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 64.340000000000003 111.009 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.62 68.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 71.040000000000006 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.3 m 59.0 53.82 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 74.129999999999995 110.006 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 2.6 pt -133.62 161.07 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 75.409999999999997 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 74.400000000000006 110.308 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.042 0 N-CA-C 110.984 -0.846 . . . . 64.25 110.984 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.1 Cg_endo -74.95 -167.38 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 62.45 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.52 168.49 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.43 109.999 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -63.21 -54.79 42.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 73.14 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.11 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 60.23 111.037 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -55.53 -42.52 74.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.34 110.007 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.955 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.61 -24.35 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 63.24 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.84 -35.91 64.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.04 111.015 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 64.01 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.564 HD13 ' SG ' ' A' ' 109' ' ' CYS . 40.6 mt -71.48 -21.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.13 109.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.93 HD22 HG22 ' A' ' 47' ' ' VAL . 3.0 mt -71.07 -59.43 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 52.42 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.31 -6.43 53.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 61.12 110.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.34 6.38 44.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 54.34 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -90.76 -64.65 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 60.22 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.73 136.0 1.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 65.12 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 31.0 tp60 -35.88 -67.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 72.43 110.248 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -55.97 -38.0 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.01 109.327 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.5 tptt -48.53 -31.15 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 71.54 109.349 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -72.59 -50.0 28.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 54.41 109.299 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.0 mt -54.62 -46.43 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 64.34 109.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -55.64 -75.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.33 111.027 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 29.2 mt -40.79 -56.14 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.5 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' ' 51' ' ' LEU . 2.3 ttmt -43.6 -63.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.23 109.273 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 88.1 m-70 -52.58 -27.24 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.31 109.59 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.9 tttp -79.49 -28.79 41.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.23 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 44' ' ' HIS . 4.1 mt -78.34 -25.46 46.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 60.41 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.4 mmtt -39.85 -33.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 63.11 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 32' ' ' THR . 1.1 m -113.66 94.72 33.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 75.21 110.366 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.89 42.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 62.21 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.459 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -97.65 158.73 32.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.12 110.282 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 75.43 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.87 24.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 73.51 111.021 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.48 127.12 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.998 . . . . 73.23 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.26 0.44 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 61.15 110.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.64 -28.79 6.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 75.34 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.658 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -79.2 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 75.22 110.338 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.891 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.3 t0 -44.66 -39.71 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 71.14 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 73' ' ' VAL . 26.9 tp -66.23 -47.69 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.13 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.952 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.3 tp -61.06 -28.7 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 64.33 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.827 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.1 t-160 -57.79 -46.37 84.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 54.03 109.593 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 57' ' ' ALA . . . -71.58 -32.97 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 71.2 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 81.2 mtp -74.89 -12.93 60.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 64.42 110.993 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 43' ' ' LEU . 75.2 t -95.25 -30.13 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 74.31 109.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 53' ' ' GLN . 1.2 mm? -56.52 -51.37 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 73.34 109.313 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 45' ' ' ALA . 1.4 mm? -50.38 -52.36 37.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.31 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 7.1 mmmt -40.29 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 63.42 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.53 -44.06 9.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 73.51 109.264 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.52 13.87 7.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 41.2 111.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.526 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.1 pt20 -121.91 84.02 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 64.14 110.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.1 pt-20 -76.47 -19.92 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 50.52 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.87 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 73.34 110.389 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -90.07 -45.77 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 64.02 110.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 65.13 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.01 -44.84 91.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 75.45 110.343 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -64.23 -56.14 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 63.21 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -50.5 -53.02 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.15 110.001 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 70' ' ' ALA . 6.1 mt -54.21 -48.65 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 34.45 109.299 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -63.08 -12.75 28.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 74.11 110.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.56 13.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 73.12 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.891 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.6 mt -129.49 47.74 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 71.41 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -47.65 -34.31 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.02 109.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.58 -57.22 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 34.34 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.848 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -69.42 122.28 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 74.34 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.4 -12.87 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 61.22 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.823 HG11 ' HB3' ' A' ' 95' ' ' ALA . 51.3 t -76.51 -17.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 52.13 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -82.51 -41.72 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 61.11 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -68.24 -18.81 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.12 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.921 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -93.72 -23.39 18.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.5 109.336 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.849 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -82.19 -6.3 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.51 109.253 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.072 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.26 -36.22 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 61.54 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.921 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt-85 -98.8 -5.52 31.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.54 110.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.9 tp60 -89.09 -45.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.41 110.365 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.849 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 25.1 m-90 -109.51 -61.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.22 108.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.072 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.3 -24.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.2 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 74.32 19.21 79.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 75.41 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.441 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.6 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 64.35 109.319 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.32 -0.252 . . . . 75.14 110.32 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.98 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 74.23 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.1 13.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 72.44 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.582 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 53.0 m-20 -101.08 26.21 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 71.31 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.95 -43.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 53.1 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.4 m -106.23 -35.3 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 55.03 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.051 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.3 t90 -46.32 -53.14 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.99 -1.115 . . . . 74.44 107.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.823 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -56.14 -33.31 65.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 44.54 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' SER . 16.5 t -72.34 -22.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.23 109.297 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -86.38 -34.13 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 73.34 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 16.3 mtt180 -80.06 -31.77 39.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 75.24 110.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.877 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -66.56 -44.8 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.02 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.955 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m-85 -71.38 -23.12 61.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.22 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.417 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 4.4 t60 -60.13 -23.61 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.55 109.579 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -96.87 -26.66 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 65.04 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.886 HD23 ' OE2' ' A' ' 106' ' ' GLU . 90.8 mt -67.33 -28.94 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.04 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.894 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.13 -3.2 34.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 55.15 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -99.76 -20.14 16.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.1 110.296 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.886 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.19 7.49 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 63.04 110.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 58.47 50.94 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 75.01 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 14' ' ' ILE . 19.0 mt -109.17 -30.69 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.33 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.564 ' SG ' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -152.59 145.49 17.41 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 74.53 108.318 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.98 150.36 38.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 65.43 111.039 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.08 -25.59 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.25 109.263 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 116' ' ' VAL . 43.7 m -45.63 -35.15 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.42 110.014 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 110' ' ' PRO . 2.9 mm? -77.53 -51.57 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 75.02 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.894 HH21 ' CB ' ' A' ' 104' ' ' ALA . 15.0 ttm180 -50.42 -24.81 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 73.31 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.524 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.71 -69.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.53 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 112' ' ' SER . 91.6 t -39.84 -38.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 43.01 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.49 -56.1 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.05 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -49.81 -38.59 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.22 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.409 ' HA ' HD11 ' A' ' 148' ' ' ILE . 82.3 mt-30 -57.68 -57.19 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 63.2 110.352 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -53.43 -21.74 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.05 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.83 -23.7 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 71.51 109.297 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.699 HG13 ' OE1' ' A' ' 137' ' ' GLN . 3.4 t -82.56 -22.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 75.05 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -31.82 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 74.44 110.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.9 t -71.19 -40.51 71.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 71.33 110.407 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 90.1 mt -75.39 -36.79 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.32 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 133' ' ' LEU . 5.8 m -71.56 -37.63 71.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.34 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -64.8 -36.3 83.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 65.41 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -103.74 5.38 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.12 110.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 17.1 t0 40.46 49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.42 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -53.93 178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 61.13 109.311 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -90.33 -5.65 55.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 64.21 109.63 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.69 5.05 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.51 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -51.77 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 62.22 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.68 -34.32 14.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 65.54 110.966 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -34.76 78.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 70.13 110.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 94' ' ' TRP . 49.3 tp -75.75 -35.92 60.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.14 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.699 ' OE1' HG13 ' A' ' 122' ' ' VAL . 38.9 mm-40 -66.47 -16.29 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.01 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -106.48 -18.57 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 63.55 109.307 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.74 -59.65 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.23 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -52.22 -20.97 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 53.41 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLY . 35.4 mtm180 -85.68 -59.89 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.02 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.67 -22.78 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.41 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.61 -78.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 73.22 110.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.36 -55.68 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 70.51 108.339 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.55 64.37 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 72.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.781 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.46 -169.06 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.997 -1.112 . . . . 61.43 107.997 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -117.51 60.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 63.13 109.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.781 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.7 tt -63.55 -37.38 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.34 109.259 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -43.01 -31.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.44 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 44.11 111.025 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.99 -0.844 . . . . 63.02 110.99 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.793 ' HB3' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -75.0 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 74.3 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.51 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 6.8 p -179.9 157.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 55.2 109.999 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.861 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -56.82 -49.44 93.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 44.32 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -21.95 15.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 52.4 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.51 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 7.0 t -63.73 -39.96 95.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 70.13 110.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.081 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -70.35 -26.87 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 43.13 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -75.13 -34.3 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 62.12 111.026 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.53 -39.83 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 74.2 109.343 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.705 HG21 ' SG ' ' A' ' 109' ' ' CYS . 7.7 mt -67.64 -21.17 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.23 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.973 HD11 HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -68.59 -58.78 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.54 109.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -7.18 52.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 74.31 111.038 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.64 14.65 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 71.22 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.857 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.31 -76.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 52.13 109.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.3 136.9 2.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 40.4 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 18.7 tp60 -37.56 -58.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 64.55 110.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -37.87 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 63.45 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.857 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 7.0 tptt -47.49 -31.45 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 75.24 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.489 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.1 -63.34 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 72.35 109.319 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 78.3 mt -41.55 -50.31 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 63.44 109.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.51 -53.32 59.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 55.35 111.015 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 108' ' ' LEU . 19.1 mt -67.51 -10.91 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 74.13 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -86.63 -31.53 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 74.31 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 83.4 m-70 -103.2 -0.87 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 71.44 109.616 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -20.08 20.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 40' ' ' GLN . 3.3 mt -105.9 13.35 29.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 52.03 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 16.3 mmtt -67.54 -24.14 65.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 53.05 109.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -114.02 91.56 23.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.42 110.423 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.23 40.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 65.35 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.536 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.74 168.43 9.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.15 110.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.52 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 53.01 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.14 7.55 32.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 53.53 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 14.2 p -67.71 126.36 29.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 61.5 108.322 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.13 0.23 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.23 110.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -112.09 -28.37 3.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 72.04 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.825 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.48 -63.66 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 35.42 110.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.9 t0 -50.73 -42.44 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.45 109.281 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.592 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.19 -56.82 17.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 63.34 109.267 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 103' ' ' LEU . 1.8 tt -55.46 -30.46 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.34 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.5 t-160 -54.47 -31.47 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 71.2 109.612 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -86.53 -22.57 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 30.11 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.604 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 65.7 mtp -84.73 -9.9 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 64.3 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 43' ' ' LEU . 91.5 t -95.46 -55.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.4 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.4 mm? -39.96 -50.48 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.31 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.4 mp -49.51 -53.23 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 64.1 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 6.9 mmmt -40.4 -31.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.22 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mt -88.6 -44.24 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 54.41 109.261 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 115.42 16.02 7.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 71.11 110.999 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.09 70.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.52 110.367 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.02 -19.06 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 55.25 110.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.45 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 63.54 110.388 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -45.26 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.33 110.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.509 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -45.17 -40.21 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 73.24 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.57 -48.97 78.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 63.44 110.24 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -54.25 -60.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 72.43 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -39.22 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.1 110.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.2 mt -62.13 -38.18 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 73.11 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.03 -13.19 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 63.41 110.279 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 8.17 19.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.12 109.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.9 mt -127.12 53.76 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 75.13 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -31.14 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 61.22 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -60.67 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 55.2 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.759 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.7 m-20 -53.95 113.08 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.22 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -81.9 -0.55 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 75.12 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.6 t -95.39 -14.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.55 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.867 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -76.34 -22.0 55.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 55.4 109.267 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.489 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -88.08 -34.5 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 63.22 110.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.742 ' C ' HD13 ' A' ' 72' ' ' LEU . 0.5 OUTLIER -80.38 -39.3 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 74.21 109.303 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 69' ' ' VAL . 45.9 t -65.81 -10.98 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 75.13 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -80.98 -62.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 64.24 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.713 ' CA ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.29 -7.43 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.35 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.8 tp-100 -88.58 -40.63 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 62.32 110.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.781 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.0 m-90 -114.81 -59.09 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 74.42 108.048 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.58 -37.1 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 72.41 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.88 29.13 55.32 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 72.45 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.713 HG22 ' CA ' ' A' ' 75' ' ' ARG . 23.5 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 75.12 109.304 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 110.26 -0.274 . . . . 74.34 110.26 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.533 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.0 Cg_endo -75.08 173.92 13.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 74.1 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.81 21.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 71.23 111.05 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -110.28 27.07 9.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.15 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.776 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.78 -74.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 43.2 109.297 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.584 ' H ' HG13 ' A' ' 92' ' ' VAL . 3.5 m -72.96 -46.88 49.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.33 110.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.116 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.7 t90 -41.22 -66.2 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.35 107.968 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.29 -55.13 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.12 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 8' ' ' LEU . 29.8 t -47.97 -41.69 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 72.45 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -61.53 -47.06 87.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 70.12 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 91' ' ' ASP . 24.1 mtt180 -68.06 -24.16 65.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 72.12 110.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.695 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.49 -50.05 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 44.33 109.325 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.081 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.8 m-85 -67.95 -22.03 65.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.43 110.987 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.74 -23.05 62.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.12 109.6 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt -97.15 -31.07 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.02 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 43' ' ' LEU . 87.2 mt -64.42 -14.97 59.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 74.31 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.6 -12.33 57.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 71.11 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.68 -20.35 16.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.41 110.319 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.56 -18.75 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.32 110.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 79.19 26.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 75.42 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 26' ' ' LEU . 34.9 mt -96.13 -37.66 10.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 53.34 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.705 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.2 m -139.16 140.45 26.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 62.51 108.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.75 42.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 61.01 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.699 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -67.73 -10.66 54.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 73.42 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.2 m -55.15 -29.88 58.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 55.32 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 6' ' ' PRO . 6.7 mp -86.11 -45.2 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.32 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.699 HH21 ' HB2' ' A' ' 111' ' ' ALA . 4.3 ttp180 -40.04 -29.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 73.43 110.254 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.548 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 14.5 m-20 -79.71 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.12 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 t -40.15 -44.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 71.31 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -60.31 -61.46 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.11 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.546 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.7 m-85 -45.51 -41.25 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 74.31 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 122' ' ' VAL . 76.5 mt-30 -55.95 -63.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 50.53 110.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.42 -28.32 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.55 110.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.24 -28.15 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 34.35 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.706 HG22 HE22 ' A' ' 137' ' ' GLN . 19.3 t -76.93 -8.55 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 74.53 109.273 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 126' ' ' SER . 37.1 mmt180 -89.8 -71.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.4 110.237 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.684 HG23 ' CD2' ' A' ' 125' ' ' LEU . 11.7 t -35.74 -39.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 71.42 110.405 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.684 ' CD2' HG23 ' A' ' 124' ' ' THR . 0.6 OUTLIER -66.73 -56.2 11.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 72.15 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ARG . 11.2 t -52.89 -47.95 67.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.54 110.012 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.8 t -52.37 -57.22 10.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 70.45 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.497 ' CZ ' ' OD2' ' A' ' 130' ' ' ASP . 12.6 ptt180 -79.91 3.68 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 70.51 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 54.1 t0 38.42 46.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 63.1 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.497 ' OD2' ' CZ ' ' A' ' 128' ' ' ARG . 1.6 t0 -58.29 175.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.51 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -92.74 -5.98 50.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 71.4 109.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -103.61 2.49 33.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.41 110.305 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.652 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -58.0 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 60.44 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.652 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.89 -28.9 18.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 63.25 111.056 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.55 -34.28 73.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 74.04 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 94' ' ' TRP . 59.3 tp -72.86 -38.75 66.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 61.12 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.706 HE22 HG22 ' A' ' 122' ' ' VAL . 50.0 mm-40 -61.39 -17.8 55.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 52.05 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -106.46 -2.68 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 54.31 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 4.8 tt0 -98.62 -45.81 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.34 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.42 -14.87 63.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.02 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.0 mtm180 -95.83 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 74.31 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -50.59 -22.4 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 65.23 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.5 mmp_? -85.81 -79.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 73.34 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.2 -55.74 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.33 108.309 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.52 68.28 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 53.4 111.045 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -171.95 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.104 . . . . 74.23 108.018 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.44 61.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 75.12 109.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.5 tt -72.51 -34.85 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.12 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -47.28 -26.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.12 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 71.12 111.0 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 110.999 -0.84 . . . . 64.44 110.999 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.807 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 73.02 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 177.54 147.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.31 109.975 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.708 HD13 HG22 ' A' ' 96' ' ' VAL . 52.2 tp -55.45 -45.17 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 72.41 109.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -22.28 15.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 61.35 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -63.04 -40.79 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 71.34 109.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.31 -26.77 66.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 71.22 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.58 -38.14 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.02 111.033 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.51 -36.99 71.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 54.22 109.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' SG ' ' A' ' 109' ' ' CYS . 22.1 mt -68.55 -25.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 63.01 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -62.84 -56.77 14.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 61.15 109.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.69 44.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 73.41 111.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.12 15.6 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 60.43 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -98.17 -73.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 44.24 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 174.49 136.7 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 64.31 110.976 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -40.62 -52.36 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 74.14 110.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.03 -31.89 66.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 73.41 109.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptm -53.58 -27.98 29.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.4 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -78.91 -59.39 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.42 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 51' ' ' LEU . 2.6 mm? -47.06 -57.84 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 73.33 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -47.99 -71.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 71.15 110.98 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 90.6 mt -38.58 -50.17 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.25 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HG2' ' NE2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -52.55 -53.06 51.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 54.02 109.285 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 98.3 m-70 -59.55 -16.01 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.24 109.59 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -85.62 -49.68 7.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.2 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.46 -13.59 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 52.24 109.291 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 30.6 mmtt -39.28 -41.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 51.52 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -101.22 108.76 56.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 55.33 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.57 18.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.551 1.816 . . . . 54.4 111.02 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -86.95 164.1 37.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 70.25 110.274 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 54.41 110.974 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 22.11 18.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 64.51 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -79.74 118.75 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.305 -0.998 . . . . 50.51 108.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -5.45 9.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 75.5 110.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.77 -34.32 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 43.23 110.998 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.622 ' HG2' HD22 ' A' ' 30' ' ' LEU . 4.0 tt0 -69.11 -61.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 74.54 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.805 ' CB ' HD21 ' A' ' 64' ' ' LEU . 15.8 t0 -56.11 -42.52 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 63.4 109.325 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.932 HD21 HG21 ' A' ' 73' ' ' VAL . 2.1 tt -58.54 -55.06 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.32 109.29 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 99' ' ' LEU . 5.4 tp -58.08 -27.0 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.33 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.7 t-160 -57.46 -40.5 78.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.04 109.631 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -76.52 -33.82 58.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 72.22 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.601 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 61.7 mtp -75.39 -13.99 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 75.23 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 15' ' ' LEU . 70.4 t -95.31 -49.8 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 70.12 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -40.35 -51.86 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.41 109.275 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.3 mp -50.33 -53.5 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 63.42 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -41.67 -29.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.21 109.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.768 HD12 HE21 ' A' ' 53' ' ' GLN . 3.5 mt -88.94 -44.2 10.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 74.05 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.41 14.02 7.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 74.35 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.768 HE21 HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -124.86 82.11 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 71.53 110.354 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.8 pt-20 -75.08 -17.41 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 74.24 110.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.35 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 60.3 110.383 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.27 -41.58 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.03 110.263 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -48.37 -36.29 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.21 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.39 -47.9 77.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.24 110.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -58.22 -50.02 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.44 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.17 -52.7 64.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.5 109.996 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 70' ' ' ALA . 8.1 mt -58.64 -29.68 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.33 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -85.87 -14.46 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 72.32 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.57 14.3 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 70.3 109.302 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.805 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.2 mt -130.49 54.07 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 70.1 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 3.7 mppt? -54.15 -37.57 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.51 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.85 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 35.22 109.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.558 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -71.32 124.54 24.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 73.55 109.317 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.75 -14.14 40.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.22 109.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 91' ' ' ASP . 47.0 t -76.05 -25.97 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 41.33 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.843 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -71.45 -45.75 61.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 62.05 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 4.4 mtm-85 -65.9 -27.75 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.42 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.902 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -85.5 -34.22 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 74.21 109.369 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.932 HG21 HD21 ' A' ' 42' ' ' LEU . 7.8 t -67.76 -10.64 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 71.11 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.72 -60.45 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.24 109.304 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.902 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt85 -74.19 -8.09 54.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 55.44 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -88.51 -40.57 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.33 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.8 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.7 m-90 -116.81 -58.88 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 75.21 107.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.1 -21.02 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 63.53 109.268 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 59.21 31.66 69.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 75.22 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.646 HG22 ' N ' ' A' ' 75' ' ' ARG . 27.5 m . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.44 109.314 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 110.301 -0.259 . . . . 72.52 110.301 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 170.34 20.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 52.03 111.031 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.64 20.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.478 1.778 . . . . 62.53 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.825 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.5 m-20 -116.8 27.15 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 74.2 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -39.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.23 109.306 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -101.92 -37.86 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 73.41 110.004 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -49.72 -58.2 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 71.41 107.988 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.803 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -47.67 -25.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 72.42 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 8' ' ' LEU . 2.7 t -84.35 -38.76 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 61.54 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.671 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.22 -30.65 71.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 63.13 109.344 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 9.2 mtt180 -85.06 -26.46 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.04 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 43' ' ' LEU . 5.2 tt -74.4 -47.6 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.55 109.275 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -69.17 -18.16 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 73.32 111.009 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.557 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.4 t60 -66.95 -24.68 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 63.23 109.589 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -94.53 -32.42 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.32 109.332 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.38 -22.67 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 72.51 109.313 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.811 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.88 -10.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 64.21 109.249 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -99.69 -20.16 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.22 110.288 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.48 -11.79 47.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 64.53 110.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt 69.56 27.46 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 71.4 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.36 -39.24 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.33 109.346 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.922 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.2 m -138.97 153.35 71.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 74.25 108.29 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.31 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 70.22 110.995 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.59 59.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 34.54 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 p -56.18 -26.75 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.02 110.04 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.807 HD12 ' CB ' ' A' ' 6' ' ' PRO . 4.4 mm? -82.84 -50.72 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.32 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.811 HH21 ' CB ' ' A' ' 104' ' ' ALA . 10.7 ttm180 -50.36 -23.62 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.32 110.263 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.7 OUTLIER -81.26 -69.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 73.34 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.501 HG12 ' OE2' ' A' ' 120' ' ' GLU . 75.7 t -42.2 -37.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.24 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -62.07 -61.31 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 53.32 109.261 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.9 m-85 -44.11 -36.93 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 74.11 111.02 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' VAL . 84.7 mt-30 -60.04 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 44.24 110.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.501 ' OE2' HG12 ' A' ' 116' ' ' VAL . 15.4 mt-10 -47.85 -23.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 72.32 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.08 -34.95 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 72.22 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 HE22 ' A' ' 137' ' ' GLN . 13.9 t -72.15 -10.12 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.21 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' SER . 14.3 mmt180 -89.19 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.44 110.278 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 125' ' ' LEU . 7.5 t -40.55 -39.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 72.2 110.395 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.563 HD13 ' CB ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -65.48 -47.11 77.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.03 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 123' ' ' ARG . 36.3 t -64.34 -60.37 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.13 109.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.4 t -39.14 -58.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.15 110.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -74.33 -23.29 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 71.04 110.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.4 t70 64.54 52.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.54 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 125' ' ' LEU . 29.5 t0 -59.53 174.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 62.21 109.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -88.27 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.51 109.633 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.504 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -113.99 -2.1 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 75.32 110.296 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -47.0 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 64.25 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.619 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.88 -33.32 43.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 54.44 110.985 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.34 -29.96 70.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 55.13 110.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.8 tp -77.56 -37.28 51.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 72.14 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.678 HE22 HG22 ' A' ' 122' ' ' VAL . 59.5 mm-40 -62.36 -18.66 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 75.42 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -106.56 -2.44 21.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 74.03 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 3.3 tt0 -98.12 -45.28 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 71.34 110.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.28 -13.04 61.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 72.01 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.583 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.6 mtm180 -98.3 -58.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 72.14 110.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -50.66 -22.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.43 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.5 mmp_? -85.39 -78.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.32 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.73 -55.59 22.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 51.52 108.294 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.73 66.98 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 74.43 111.045 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.78 -171.46 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 74.01 108.021 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -112.26 61.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.04 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.3 tt -72.78 -25.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 61.13 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.583 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -58.49 -18.06 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 35.33 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 O-C-N 124.542 1.151 . . . . 73.12 110.967 179.97 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 111.01 -0.836 . . . . 71.41 111.01 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.753 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.93 -169.9 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 54.24 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.15 174.13 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 73.22 110.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.69 -52.31 34.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 73.24 109.281 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -27.37 10.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 62.43 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -50.42 -46.79 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 65.31 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -63.08 -34.53 77.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.1 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -68.76 -38.06 79.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 62.44 111.005 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -51.49 51.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.32 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.27 -14.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 52.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tp -80.62 -40.4 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 55.44 109.289 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -80.82 -1.31 89.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 73.15 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.33 18.76 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 45.13 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.864 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -89.84 -75.24 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 54.14 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 179.02 136.28 2.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 54.24 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.1 tp60 -38.11 -55.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 74.34 110.249 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -69.07 -35.65 76.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 54.14 109.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.864 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 9.4 tptt -47.22 -31.37 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.01 109.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.2 -59.15 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 64.52 109.331 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 96.7 mt -46.54 -58.2 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.54 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.4 t80 -45.73 -71.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.4 110.98 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 28.4 mt -39.69 -56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 60.25 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD11 ' A' ' 51' ' ' LEU . 1.3 ttmt -45.07 -63.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 73.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 97.6 m-70 -51.03 -22.7 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 63.01 109.612 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 2.5 tttp -85.27 -31.0 23.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 72.14 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.721 HD22 ' CG ' ' A' ' 40' ' ' GLN . 3.5 mt -80.95 -20.09 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 71.35 109.348 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.6 mmtt -38.4 -36.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.54 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.31 108.31 40.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 41.51 110.363 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.1 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.47 1.774 . . . . 54.12 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.85 159.96 56.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 75.41 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.08 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 52.53 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.18 28.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 54.15 110.986 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.07 124.68 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 73.3 108.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -1.16 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 75.45 110.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.8 -28.78 5.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 75.55 111.052 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.721 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.3 tt0 -76.59 -60.7 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 74.52 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.892 ' CB ' HD21 ' A' ' 64' ' ' LEU . 11.7 t0 -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 73.3 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HG21 ' A' ' 73' ' ' VAL . 24.6 tp -66.04 -47.5 74.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 75.31 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.783 HD13 HD11 ' A' ' 99' ' ' LEU . 27.1 tp -61.57 -29.92 70.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 61.43 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.578 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.0 t-160 -62.05 -27.52 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 63.25 109.553 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -84.49 -17.44 39.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 64.55 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 35.7 mtp -98.66 -20.33 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 71.53 111.029 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 43' ' ' LEU . 40.2 t -76.76 -48.42 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.31 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.2 mm? -47.13 -50.41 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 64.21 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.1 mt -47.06 -53.17 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 71.04 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 3.0 mmmt -40.38 -35.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 75.32 109.277 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 27' ' ' LYS . 1.9 mt -83.49 -44.7 14.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 63.24 109.334 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.84 13.32 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 74.4 110.984 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.45 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.1 pt20 -121.45 80.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 63.34 110.352 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -74.65 -17.51 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.21 110.347 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -38.23 -34.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 62.01 110.416 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.7 mp0 -89.21 -45.48 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 55.12 110.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.34 -39.2 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.35 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -61.08 -47.03 88.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 61.31 110.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -60.32 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.23 109.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 p -45.47 -50.16 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.25 110.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 7.3 mt -53.65 -49.77 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 72.23 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.21 -13.97 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 75.21 110.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -82.6 5.0 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.43 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.892 HD21 ' CB ' ' A' ' 41' ' ' ASP . 10.9 mt -118.7 47.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 55.11 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -49.88 -24.98 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 71.5 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.82 34.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 64.42 109.281 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.6 t0 -158.6 129.41 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.24 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -87.68 -31.16 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 53.24 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 95' ' ' ALA . 10.7 t -55.16 -22.24 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 71.32 109.345 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.612 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.87 -45.18 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.14 109.275 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -12.68 60.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.42 110.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -97.38 -25.72 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.03 109.284 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.88 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 7.0 t -87.7 -6.46 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.33 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.999 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -85.18 -35.42 21.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 72.44 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.694 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.3 ptt-85 -98.3 -6.15 31.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.31 110.29 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 4.1 tp-100 -91.3 -44.14 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.21 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.88 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 23.8 m-90 -107.25 -58.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 74.43 107.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -56.65 -43.17 80.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 65.43 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.2 42.27 29.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 71.54 110.99 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.431 ' O ' ' O ' ' A' ' 79' ' ' GLY . 25.9 m . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 63.12 109.257 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 . . . . . 0 N--CA 1.454 -0.265 0 N-CA-C 110.271 -0.27 . . . . 70.45 110.271 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.92 173.38 14.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 72.31 111.009 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.86 18.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 71.45 110.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -108.64 27.16 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 64.03 109.244 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -39.99 -69.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 64.44 109.321 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.538 ' H ' HG13 ' A' ' 92' ' ' VAL . 58.0 m -80.91 -43.92 19.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 71.11 110.049 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.035 ' CD2' HD12 ' A' ' 136' ' ' LEU . 3.2 t90 -41.74 -66.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 75.21 108.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.43 -53.5 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 60.43 109.293 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 92' ' ' VAL . 29.6 t -50.24 -43.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.02 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.84 -28.91 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 62.14 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.576 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 34.6 mtt180 -82.14 -21.33 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.52 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.783 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -80.26 -41.75 24.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 63.33 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.3 m-85 -70.25 -29.04 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 71.42 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -56.47 -19.3 14.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 55.42 109.549 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.2 mt -95.66 -25.17 16.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 71.34 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.883 HD23 ' OE2' ' A' ' 106' ' ' GLU . 75.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.24 109.267 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.94 -4.88 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 74.33 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.16 -19.73 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.52 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.883 ' OE2' HD23 ' A' ' 103' ' ' LEU . 1.9 pt-20 -107.63 -7.96 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.44 110.297 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 71.96 46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 74.42 109.308 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.752 HD12 ' CD2' ' A' ' 103' ' ' LEU . 9.8 mt -99.33 -27.64 13.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 62.2 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 27.2 p -154.51 151.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 75.22 108.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.423 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.3 Cg_endo -74.97 144.66 30.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 50.4 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.7 -26.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 53.54 109.275 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 110' ' ' PRO . 15.4 m -45.83 -45.86 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 62.3 110.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -63.61 -48.01 79.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.41 109.264 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.3 ttp180 -50.38 -26.45 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 70.12 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 15.7 m-20 -86.05 -68.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 75.51 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 115' ' ' ASP . 72.6 t -39.34 -34.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.35 109.242 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -70.3 -53.66 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.03 109.245 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.77 -40.67 66.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 70.41 111.034 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 122' ' ' VAL . 83.1 mt-30 -52.2 -64.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.42 110.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -44.97 -27.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.34 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -79.04 -45.47 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 65.53 109.334 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.662 HG13 ' OE1' ' A' ' 137' ' ' GLN . 48.8 t -53.63 -20.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 61.22 109.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.4 mmt180 -89.4 -66.12 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 64.13 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.39 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 53.13 110.43 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.697 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -87.69 -63.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 61.23 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.494 ' N ' HD23 ' A' ' 133' ' ' LEU . 10.0 t -38.16 -48.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 72.32 110.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -53.23 -58.75 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 64.14 110.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.496 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -79.76 4.87 15.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 75.24 110.264 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.6 m-20 42.36 36.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 71.42 109.241 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.496 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.4 t0 -41.79 154.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.32 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -74.32 -4.39 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 63.34 109.592 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.91 -0.07 18.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.45 110.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -51.6 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.2 109.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.758 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.93 -31.49 24.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 64.52 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.61 -31.97 73.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 72.31 110.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.035 HD12 ' CD2' ' A' ' 94' ' ' TRP . 7.4 tt -74.72 -47.27 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 62.34 109.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.662 ' OE1' HG13 ' A' ' 122' ' ' VAL . 33.8 mm-40 -52.01 -23.98 5.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 73.54 110.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -99.36 -22.65 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 75.33 109.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 1.5 tt0 -75.27 -61.64 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 75.44 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -52.21 -20.25 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.2 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 145' ' ' GLY . 7.8 mtm105 -86.97 -64.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 72.11 110.273 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -46.26 -26.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.43 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.6 mmp_? -81.22 -78.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 61.31 110.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -64.86 -56.72 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 64.51 108.34 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.52 63.68 0.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 61.24 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.33 -167.39 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 72.14 107.972 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -115.47 60.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 74.21 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.6 tt -69.11 -35.46 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 73.13 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.01 -20.29 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 52.14 109.294 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 64.41 110.98 179.945 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.952 0 N-CA-C 111.041 -0.824 . . . . 61.31 111.041 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.04 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 63.23 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.79 167.97 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 63.51 109.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.962 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -62.36 -51.67 71.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 65.53 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.96 -25.26 12.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 55.23 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.0 t -51.55 -45.74 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.22 110.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.55 -26.97 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 55.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -73.68 -36.23 65.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.04 111.028 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.64 -37.45 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 74.23 109.246 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.884 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.7 mt -70.41 -19.52 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 64.21 109.303 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.986 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -69.24 -54.37 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 61.34 109.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.44 -7.32 60.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 64.31 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 13.54 34.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 63.01 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.93 -65.04 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.33 109.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 161.78 134.1 1.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 60.22 110.965 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 27.2 tp60 -37.55 -56.07 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 74.04 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -63.34 -40.7 98.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 72.05 109.315 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.9 tptt -46.99 -31.95 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 70.43 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -73.47 -59.98 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 64.24 109.306 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 84.8 mt -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 34.4 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.6 t80 -54.65 -72.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 55.23 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 ' OE2' ' A' ' 106' ' ' GLU . 81.0 mt -39.12 -60.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 71.42 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -43.05 -61.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 73.34 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 86.6 m-70 -52.19 -30.43 27.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 73.33 109.654 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LEU . 8.8 tttt -79.3 -26.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 53.14 109.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -81.71 -24.32 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 65.33 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 19.5 mmtt -39.35 -31.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 51.04 109.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 32' ' ' THR . 0.9 OUTLIER -117.25 98.95 52.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 71.21 110.386 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 150.95 39.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 72.42 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -91.75 159.12 39.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 73.14 110.292 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.31 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.484 1.781 . . . . 73.5 111.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.05 5.04 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 61.14 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.38 123.27 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.356 -0.979 . . . . 64.33 108.356 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -123.93 -2.92 8.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 73.43 110.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.17 -32.63 4.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 74.33 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.666 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.53 -67.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.753 . . . . 71.14 110.33 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.873 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.1 t0 -40.22 -41.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.44 109.294 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.08 -49.94 70.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 65.53 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.986 ' CD1' HD11 ' A' ' 15' ' ' LEU . 5.3 tp -58.89 -29.35 66.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 73.24 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.3 t-160 -58.62 -41.62 86.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.11 109.586 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -76.85 -21.61 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.25 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.439 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 44.5 mtp -90.71 -8.17 50.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 71.31 110.962 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 43' ' ' LEU . 51.1 t -94.91 -51.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 61.53 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.4 mm? -41.93 -50.12 4.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.4 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 77' ' ' TRP . 5.2 mp -50.28 -52.61 34.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 64.4 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD3' ' CE1' ' A' ' 12' ' ' PHE . 3.4 mmmt -40.51 -30.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 72.34 109.305 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.08 -43.31 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 74.34 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.03 14.73 7.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 72.54 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.554 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.4 pt20 -120.39 72.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 61.43 110.308 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.61 -17.97 63.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 74.43 110.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' HD13 ' A' ' 59' ' ' ILE . 1.1 m -39.0 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.33 110.378 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.76 -44.13 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 60.23 110.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.6 -37.84 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 63.24 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -61.99 -38.94 90.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.12 110.35 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -67.63 -62.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 64.23 109.259 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 t -43.61 -45.6 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 70.23 110.0 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.849 HD22 ' O ' ' A' ' 70' ' ' ALA . 12.3 mt -56.08 -47.53 77.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.05 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -66.62 -13.68 61.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.52 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.1 12.95 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.02 109.338 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 41' ' ' ASP . 20.2 mt -124.45 54.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.21 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.443 ' C ' ' NH2' ' A' ' 71' ' ' ARG . 9.4 mmmm -59.64 -15.87 22.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 64.44 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.97 -44.02 11.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 63.45 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.618 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.02 130.17 36.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.34 109.318 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.35 -17.23 26.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 74.31 109.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 95' ' ' ALA . 3.2 t -77.75 -19.53 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 71.52 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.849 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.98 -7.91 44.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 64.24 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.443 ' NH2' ' C ' ' A' ' 65' ' ' LYS . 5.3 mmt85 -101.24 -37.19 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.01 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -80.58 -11.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 73.31 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 24.6 t -96.64 -6.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 62.55 109.275 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.993 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.94 -35.64 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 55.31 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.778 HH21 HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -98.28 -5.99 31.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 74.11 110.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -91.67 -44.74 8.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 54.52 110.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.962 ' CH2' HD22 ' A' ' 8' ' ' LEU . 22.0 m-90 -106.73 -58.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.97 -1.122 . . . . 53.55 107.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.993 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -57.45 -24.88 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 51.23 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 55.23 41.36 78.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 53.13 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 74' ' ' ALA . 20.5 m . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 63.13 109.301 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.592 ' HB3' HG11 ' A' ' 92' ' ' VAL . 10.1 mt-10 . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 110.338 -0.245 . . . . 73.41 110.338 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.682 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 74.41 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 75.22 110.999 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 67.1 m-20 -119.24 26.55 9.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 74.45 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -46.87 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 64.25 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.469 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.1 m -66.13 -50.28 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 73.41 110.031 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.079 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.4 t90 -39.89 -67.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.24 108.038 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.21 -53.67 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 64.23 109.297 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.814 HG22 ' HG ' ' A' ' 8' ' ' LEU . 20.1 t -51.67 -46.54 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.54 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -60.53 -62.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 53.13 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 27.1 mtt180 -48.46 -25.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 71.22 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 43' ' ' LEU . 2.3 tp -81.13 -40.71 23.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.11 109.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.981 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 3.7 m-85 -76.53 -10.63 59.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 64.31 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.0 t60 -77.82 -18.93 55.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 65.31 109.625 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -97.26 -28.43 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 72.01 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.996 HD23 ' OE1' ' A' ' 106' ' ' GLU . 43.2 mt -65.87 -29.04 69.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.1 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.71 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.95 -3.27 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 73.42 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -99.74 -20.24 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.53 110.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.996 ' OE1' HD23 ' A' ' 103' ' ' LEU . 3.0 pt-20 -105.38 -9.47 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.12 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 77.44 38.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 71.41 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 26' ' ' LEU . 10.2 mt -95.64 -39.58 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 62.42 109.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.884 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -140.14 148.67 55.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 74.02 108.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.45 ' HG2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.97 155.52 43.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 64.54 110.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.03 -12.94 43.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 71.22 109.321 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -16.4 61.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 63.22 109.967 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 6' ' ' PRO . 3.7 mm? -96.47 -40.35 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 71.42 109.349 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.71 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.4 ttm180 -57.54 -25.77 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.22 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.503 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -81.68 -66.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 60.12 109.293 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -45.59 -35.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 55.25 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -65.01 -53.28 48.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 72.12 109.315 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.841 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -53.27 -43.64 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 64.33 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.535 ' O ' HG22 ' A' ' 122' ' ' VAL . 75.0 mt-30 -53.57 -52.27 60.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 61.45 110.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.21 -13.93 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 71.04 110.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -91.7 -30.13 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 62.11 109.351 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -81.54 -27.18 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 62.3 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -76.12 -32.82 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 74.14 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -40.37 65.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.53 110.41 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 84.8 mt -76.79 -43.82 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.22 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.563 ' OG ' HD21 ' A' ' 133' ' ' LEU . 68.2 m -65.11 -35.79 82.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 43.31 109.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 10.6 t -66.71 -36.56 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.32 110.009 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -100.66 6.44 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 73.13 110.332 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.4 m-20 42.1 49.22 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 54.44 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.499 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 27.3 t0 -62.33 176.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 74.41 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -92.93 -15.34 26.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 51.5 109.596 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.1 OUTLIER -101.41 16.5 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 73.12 110.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -70.73 -63.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 73.02 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.9 -30.16 44.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 63.1 110.973 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.73 -29.57 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 73.22 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.079 HD13 ' CE2' ' A' ' 94' ' ' TRP . 40.8 tp -74.7 -42.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.22 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.802 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 39.0 mm-40 -62.74 -13.96 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 73.25 110.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -106.77 -4.97 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 75.25 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.36 -47.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 71.2 110.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -66.91 -16.43 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.2 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 36.7 mtm180 -91.63 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.41 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -51.4 -21.79 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 73.23 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.0 mmp_? -85.92 -77.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.54 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.42 -55.99 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 65.15 108.28 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.81 65.34 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 74.45 111.014 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.874 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.36 -170.77 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.98 -1.118 . . . . 73.41 107.98 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -114.7 62.69 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.33 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.874 HD12 ' CH2' ' A' ' 146' ' ' TRP . 9.9 tt -65.59 -37.06 79.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.43 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.802 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -46.59 -25.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 54.25 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 54.32 110.987 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 110.974 -0.851 . . . . 75.05 110.974 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.748 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 54.1 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.464 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.8 t 179.99 178.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 63.14 109.966 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.537 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.55 -52.01 20.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 63.11 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.05 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 71.03 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.455 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 58.3 m -44.62 -44.99 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 75.01 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.867 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.32 -37.66 86.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.3 109.287 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.799 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.24 -35.86 78.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 71.14 111.004 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.21 -53.29 46.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 72.13 109.314 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.63 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.9 mt -56.66 -24.32 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 72.45 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.41 -56.61 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 51.42 109.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.77 -6.73 52.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 74.54 110.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.54 -16.51 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.14 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.874 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -68.43 -65.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 74.22 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 159.19 139.06 2.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 62.11 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -42.18 -58.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 72.22 110.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -62.54 -25.31 67.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 64.34 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.874 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.13 -17.32 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 64.15 109.307 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -93.6 -44.38 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.24 109.273 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.1 mt -61.53 -48.36 81.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.25 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.95 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 63.02 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' OE2' ' A' ' 106' ' ' GLU . 87.1 mt -49.05 -38.65 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.34 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.645 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.28 -52.15 62.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 75.12 109.266 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.645 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.6 m-70 -65.08 -12.13 47.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 54.22 109.614 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -86.12 -49.82 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 73.4 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 44' ' ' HIS . 1.8 mt -59.97 -16.52 31.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 72.52 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 9.7 mmtt -39.49 -39.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.42 109.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' THR . 0.5 OUTLIER -110.93 119.14 46.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 73.43 110.375 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.06 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 53.21 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.05 164.79 37.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 74.13 110.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 70.11 111.029 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.63 22.57 13.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 22.11 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.25 116.01 22.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.316 -0.994 . . . . 73.54 108.316 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -119.85 -8.78 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.35 110.263 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.64 -38.0 2.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 51.32 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.673 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -63.22 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.42 110.279 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.747 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.3 t0 -45.87 -41.21 10.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.31 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 73' ' ' VAL . 19.1 tp -60.99 -54.35 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 74.34 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.6 tp -56.26 -32.29 64.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.25 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.711 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.8 t-160 -56.38 -27.85 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.15 109.587 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -86.76 -20.92 26.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 60.44 109.374 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.61 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 42.4 mtp -93.37 -7.3 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.34 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 43' ' ' LEU . 60.2 t -94.71 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 61.31 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.38 -40.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 72.34 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.532 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.2 mt -55.15 -58.64 6.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.41 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.751 ' HB3' HD13 ' A' ' 23' ' ' LEU . 21.6 mmtt -42.99 -28.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 74.44 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.656 HD12 HD13 ' A' ' 48' ' ' LEU . 4.7 mt -83.68 -45.63 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 71.02 109.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.52 18.8 6.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 34.23 111.019 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.25 81.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 71.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -71.64 -20.04 62.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.11 110.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.84 -35.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 71.1 110.361 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -86.67 -48.36 8.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 73.03 110.273 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.48 -39.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 53.34 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -62.7 -49.92 73.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 75.24 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.73 -48.03 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 64.42 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -44.67 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 71.34 110.017 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.973 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.5 mt -62.7 -35.82 80.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 63.24 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.47 -14.61 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 61.2 110.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.04 7.72 20.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.41 109.248 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.747 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -134.31 54.56 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 61.34 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.2 mmpt? -59.65 -20.26 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.32 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.4 -52.11 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 51.31 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.451 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -66.11 111.45 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 64.05 109.308 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -74.98 -2.05 25.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 74.01 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.764 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 t -88.52 -23.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.12 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.973 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.23 -46.87 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 54.15 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -62.25 -31.63 72.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 71.33 110.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.988 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -83.75 -39.08 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.43 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.708 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -65.34 -11.42 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 70.41 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.69 -68.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 71.13 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.988 HH21 HD23 ' A' ' 72' ' ' LEU . 3.7 ptt-85 -67.27 -7.11 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 74.24 110.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -89.6 -45.07 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.05 110.326 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.799 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.9 m-90 -113.39 -59.63 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 75.23 108.042 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -46.1 -26.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 40.45 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 78.33 16.61 79.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 73.41 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.43 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.7 t . . . . . 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 74.23 109.296 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.325 -0.25 . . . . 74.1 110.325 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 71.04 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 45.34 111.017 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 1.2 m-20 -99.19 24.55 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.34 109.309 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -41.49 -45.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 55.3 109.264 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -106.3 -41.39 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 54.35 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 136' ' ' LEU . 4.8 t90 -42.88 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 75.13 108.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.75 -50.67 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 55.3 109.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.9 t -51.86 -32.69 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.44 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.698 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -74.06 -37.41 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 61.2 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 10.5 mtt180 -77.78 -16.75 58.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 73.35 110.335 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -86.09 -52.74 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 72.33 109.32 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.867 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.2 m-85 -61.16 -21.09 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 55.31 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.1 t60 -67.52 -17.6 64.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 75.43 109.59 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -97.21 -31.18 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.04 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.699 HD23 ' OE1' ' A' ' 106' ' ' GLU . 76.9 mt -65.54 -30.74 71.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 61.11 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.18 -3.41 29.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.44 109.31 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 1.8 mm-40 -99.45 -19.34 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 74.13 110.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.868 ' OE1' HD12 ' A' ' 108' ' ' LEU . 1.2 pt-20 -109.54 12.59 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.31 110.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp 54.89 49.27 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.2 109.348 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.868 HD12 ' OE1' ' A' ' 106' ' ' GLU . 20.3 mt -112.04 -32.75 6.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.43 109.339 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.669 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.6 m -144.56 140.13 16.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 64.23 108.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.97 152.15 40.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 71.42 111.007 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.09 15.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.22 109.344 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 19.9 m -55.7 -20.42 14.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 44.42 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 6' ' ' PRO . 2.3 mm? -94.84 -30.36 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 64.22 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.1 ttp180 -70.01 -27.18 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.11 110.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.487 ' OD2' HG23 ' A' ' 116' ' ' VAL . 1.1 p30 -80.34 -50.85 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.42 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.569 HG12 ' HD2' ' A' ' 6' ' ' PRO . 51.9 t -66.37 -28.64 44.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 73.13 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 113' ' ' LEU . . . -71.29 -34.07 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 54.14 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 m-85 -74.14 -43.61 56.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 54.34 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.63 -49.19 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 33.11 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -58.93 -14.43 9.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.12 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -93.85 -50.28 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 73.24 109.337 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 1.057 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -61.42 -25.51 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 62.43 109.286 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -72.93 -32.71 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.33 110.312 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.6 HG22 HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -83.43 -40.42 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 63.12 110.365 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.6 HD23 HG22 ' A' ' 124' ' ' THR . 2.1 mm? -68.21 -42.67 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 65.22 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.1 t -73.5 -39.59 64.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.53 109.967 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 6.0 t -57.96 -32.93 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 71.11 109.968 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.2 OUTLIER -103.43 -8.29 20.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 72.42 110.345 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 53.34 51.17 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.41 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.48 ' CB ' HD13 ' A' ' 125' ' ' LEU . 25.7 t0 -63.42 -179.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.21 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -94.67 -4.89 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 71.2 109.637 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -111.31 2.94 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 55.12 110.347 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.1 tm? -57.12 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 71.42 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.735 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.51 -27.13 25.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 54.55 110.996 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.25 -31.95 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 65.44 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 HG12 ' A' ' 122' ' ' VAL . 5.8 tt -74.69 -42.74 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.02 109.286 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.807 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.2 mm-40 -61.49 -12.08 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.23 110.331 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.44 -8.97 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 73.24 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -94.94 -50.06 5.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 73.34 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -63.78 -15.31 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.04 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 145' ' ' GLY . 49.4 mtm180 -91.23 -62.01 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.53 -22.14 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 75.11 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.3 mmp_? -85.36 -78.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.54 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.91 -55.57 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 61.33 108.255 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.46 70.17 0.88 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 44.31 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.969 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.95 -170.38 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.989 -1.115 . . . . 52.43 107.989 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -114.16 59.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.52 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.969 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -68.44 -14.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.04 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.807 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -78.88 0.22 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 62.33 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 54.24 110.994 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.965 0 N-CA-C 111.023 -0.831 . . . . 70.42 111.023 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 74.53 110.967 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.38 172.77 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.24 110.012 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -66.26 -55.52 20.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.13 109.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.53 15.77 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.478 1.778 . . . . 64.21 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -54.66 -43.77 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.34 109.983 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.19 -26.79 68.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 65.11 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -69.86 -36.67 75.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.54 110.996 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -42.44 79.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.21 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 11' ' ' ALA . 5.2 mt -65.13 -22.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.32 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.7 mt -70.93 -60.57 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 71.51 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.49 -12.74 53.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 35.41 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.75 19.72 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 74.11 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.12 -72.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 52.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.555 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 173.92 136.52 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 22.44 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -40.73 -52.08 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 71.11 110.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.07 -31.78 66.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.53 109.324 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.4 tptt -53.36 -25.97 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 74.55 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.702 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -83.84 -59.0 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.25 109.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 51' ' ' LEU . 66.6 mt -47.16 -57.87 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 62.43 109.274 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.96 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.23 110.977 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.9 mt -39.8 -58.9 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 53.15 109.344 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE2' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 75.12 109.309 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 96.1 m-70 -52.55 -22.17 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 75.55 109.626 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -81.0 -30.79 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 70.45 109.343 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.661 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.4 mt -76.29 -21.5 56.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.45 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 28.6 mmtt -38.59 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.4 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -105.01 104.95 49.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 64.22 110.36 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 140.04 25.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 64.34 110.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.46 168.1 13.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.12 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 72.21 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 27.97 36.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.152 . . . . 74.42 111.031 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.11 118.22 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.265 -1.013 . . . . 73.03 108.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -4.5 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.32 110.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -108.5 -32.98 3.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 31.31 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.661 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.21 -64.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 74.34 110.284 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.869 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.1 t0 -48.2 -41.88 28.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.41 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 HG21 ' A' ' 73' ' ' VAL . 31.7 tp -60.75 -52.16 66.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 64.42 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.049 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.0 tp -58.25 -31.4 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 62.42 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.633 ' HA ' HD12 ' A' ' 30' ' ' LEU . 5.9 t-160 -59.69 -22.41 61.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.04 109.62 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.26 -20.55 21.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.44 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.3 mtp -93.92 -14.21 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.44 110.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 43' ' ' LEU . 38.7 t -86.51 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 73.23 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -40.27 -29.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 61.43 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.452 ' CD2' ' N ' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.27 -58.54 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 73.45 109.289 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -37.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 70.44 109.282 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 24' ' ' LEU . 4.0 mp -75.55 -50.66 14.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 62.43 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.69 10.03 8.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 62.12 110.956 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -117.7 77.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 74.53 110.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.2 pt-20 -69.94 -18.54 63.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 73.4 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -39.12 -29.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 64.03 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -93.11 -45.02 8.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 73.03 110.293 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.7 -41.44 6.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 55.13 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' A' ' 61' ' ' LEU . 75.6 mtp180 -60.5 -48.57 81.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 62.42 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.83 -48.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.33 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -48.82 79.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 72.11 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.913 HD22 ' O ' ' A' ' 70' ' ' ALA . 5.9 mt -57.73 -39.16 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 74.02 109.301 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.71 -14.01 61.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.02 110.298 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.99 14.66 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 62.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.869 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.3 mt -132.34 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 72.45 109.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -54.34 -24.21 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 61.41 109.28 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.29 -48.15 12.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 52.34 109.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.39 119.84 14.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.22 109.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 89' ' ' PRO . . . -87.53 -15.1 38.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.54 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 96.1 t -80.31 -20.49 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.33 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.913 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -74.82 -66.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 73.4 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -48.93 -23.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 71.21 110.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.97 HD23 HH21 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -87.43 -37.04 17.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 63.53 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 HD11 ' A' ' 42' ' ' LEU . 4.1 t -65.35 -11.3 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 64.13 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.803 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.52 -68.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 60.3 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.97 HH21 HD23 ' A' ' 72' ' ' LEU . 5.3 ptt-85 -66.81 -7.81 24.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 71.23 110.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tp60 -87.98 -47.39 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.53 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 18.8 m-90 -107.74 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.97 -1.122 . . . . 74.42 107.97 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -43.62 -36.72 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.1 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 89.61 15.04 58.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 72.52 110.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG23 ' HB3' ' A' ' 78' ' ' ALA . 44.8 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 74.22 109.318 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 . . . . . 0 N--CA 1.454 -0.247 0 N-CA-C 110.278 -0.267 . . . . 73.22 110.278 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.754 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.03 173.65 14.15 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 61.04 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 53.4 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' HG23 ' A' ' 69' ' ' VAL . 35.9 m-20 -116.8 22.72 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 75.53 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -37.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 31.43 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -105.96 -41.25 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.43 110.028 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.029 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.5 t90 -44.82 -55.92 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 62.21 108.026 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -50.03 -36.51 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 63.12 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 7.5 t -71.8 -29.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 65.31 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.715 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -72.64 -41.78 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 72.24 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 1.3 mtt180 -78.15 -30.1 49.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.4 110.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 43' ' ' LEU . 4.2 tp -69.77 -39.73 76.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 74.13 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.97 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 6.2 m-85 -77.92 -22.57 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.12 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -60.82 -25.22 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.52 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.6 mt -92.7 -43.12 9.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 71.21 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 108' ' ' LEU . 95.1 mt -62.45 -17.57 59.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 50.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.26 -18.04 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 64.05 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -99.9 -30.05 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 71.43 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -67.4 -17.43 64.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 52.2 110.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt 79.2 41.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 54.2 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 103' ' ' LEU . 43.6 mt -111.59 -36.94 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 75.44 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.434 ' HB2' HD12 ' A' ' 113' ' ' LEU . 2.1 p -138.12 151.3 69.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 41.45 108.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.03 42.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 70.22 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.54 -12.23 42.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 52.24 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.2 m -63.57 -45.21 91.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 70.55 109.962 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 109' ' ' CYS . 24.7 mt -60.63 -38.11 83.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 72.43 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -57.2 -28.41 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.31 110.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.597 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -81.96 -64.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 72.52 109.307 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.461 HG12 ' OE2' ' A' ' 120' ' ' GLU . 21.2 t -40.23 -40.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.21 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.88 -58.82 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.21 109.325 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.724 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.6 m-85 -47.93 -40.82 23.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.34 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.56 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 83.6 mt-30 -57.17 -37.93 72.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 55.33 110.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE2' HG12 ' A' ' 116' ' ' VAL . 5.7 mt-10 -75.82 -8.31 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 64.34 110.354 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -99.4 -36.67 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 73.22 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 118' ' ' TYR . 1.8 p -80.85 -35.63 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 74.2 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.479 ' C ' ' CD ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -68.95 -28.6 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 75.21 110.331 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.51 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.2 t -85.39 -37.52 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 71.55 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.562 HD22 HD22 ' A' ' 136' ' ' LEU . 4.9 mp -79.03 -25.01 43.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.14 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.6 m -74.38 -44.28 52.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.12 109.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.01 110.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 130' ' ' ASP . 0.9 OUTLIER -94.93 2.15 55.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.03 110.327 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 41.28 52.94 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 72.33 109.328 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 20.2 t0 -56.28 157.14 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.35 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -71.44 -9.05 57.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 74.43 109.568 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.51 11.06 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.44 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.8 OUTLIER -61.85 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 71.32 109.322 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.835 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.15 -29.89 37.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.118 . . . . 71.21 110.976 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.35 -33.24 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 71.23 110.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.4 tp -75.36 -39.62 59.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 75.2 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.834 HE21 HD22 ' A' ' 133' ' ' LEU . 13.1 mm-40 -63.97 -18.41 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 70.21 110.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -102.65 -4.69 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 73.44 109.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.7 tt0 -98.88 -47.09 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 73.3 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.08 -18.06 65.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 70.3 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 22.4 mtm180 -92.45 -60.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 75.43 110.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -50.67 -22.49 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 72.15 109.337 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.4 mmp_? -86.93 -78.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.42 110.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -61.5 -55.98 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 65.55 108.342 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.26 68.8 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 61.44 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.868 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.37 -171.17 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 65.44 108.0 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.14 61.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 52.2 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.868 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 2.8 tt -70.37 -35.03 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 73.24 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.59 -21.93 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 52.52 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 44.52 111.002 -179.947 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.0 -0.84 . . . . 63.52 111.0 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.523 ' CD ' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.95 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 73.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -173.63 171.22 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.44 109.998 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -73.39 -49.84 6.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 63.12 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 75.3 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -59.46 -40.92 88.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.53 109.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.626 ' HB1' HD11 ' A' ' 103' ' ' LEU . . . -66.98 -35.67 80.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 62.42 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.798 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -65.08 -35.85 82.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 71.24 110.995 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.51 -28.19 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.42 109.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 11' ' ' ALA . 32.5 mt -78.04 -17.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.43 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 ' CD2' ' A' ' 43' ' ' LEU . 2.8 mt -73.37 -55.03 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 65.22 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.69 -6.26 49.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 54.02 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.91 12.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 52.32 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.885 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -57.92 -71.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 42.22 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.53 139.26 2.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 74.05 110.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -39.78 -61.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 64.4 110.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.74 -24.05 66.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 72.31 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.885 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.9 tptm -61.54 -16.19 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 61.2 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.957 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mt -92.4 -52.37 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 74.03 109.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 mm? -55.48 -51.89 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.11 109.305 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 26' ' ' LEU . 1.4 t80 -53.47 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.15 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 ' CE2' ' A' ' 25' ' ' TYR . 62.1 mt -43.11 -45.22 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 71.35 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.15 -54.96 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.23 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.7 m-70 -64.39 -11.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.12 109.622 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -88.47 -38.26 15.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 75.5 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.642 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.7 mt -71.89 -20.52 61.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 73.14 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.469 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 39.7 mmtt -38.3 -42.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.42 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -99.32 109.27 54.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 72.22 110.396 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.56 25.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 74.43 110.992 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -90.48 168.89 13.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 70.14 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 71.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.66 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 73.31 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.7 116.57 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.268 -1.012 . . . . 71.15 108.268 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -6.64 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.52 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.7 -35.28 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 72.4 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.592 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.8 tt0 -66.08 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 61.01 110.334 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.82 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.2 t70 -48.95 -40.24 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.2 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.83 -55.19 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 64.35 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.054 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.3 mt -58.13 -34.21 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.11 109.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.9 t-160 -57.32 -20.88 31.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 72.03 109.556 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.24 -20.17 22.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 64.23 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.6 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 38.7 mtp -98.6 -14.04 20.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.44 110.975 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 43' ' ' LEU . 41.3 t -85.44 -50.69 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 74.24 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.7 OUTLIER -43.85 -48.5 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.41 109.255 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.584 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.3 mt -50.94 -51.48 51.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 63.11 109.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.957 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.1 mmmt -41.23 -29.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 71.3 109.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.55 -43.21 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 62.02 109.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.04 16.25 6.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 60.02 111.001 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.579 ' NE2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -125.3 82.81 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 75.14 110.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -76.95 -18.63 58.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 71.11 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -37.99 -34.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 60.12 110.378 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ILE . 20.1 mp0 -88.73 -46.77 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.24 110.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -41.49 -35.77 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.11 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.4 mtp180 -69.07 -50.07 51.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.44 110.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -55.55 -39.67 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 72.24 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.661 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 p -66.08 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.13 110.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.74 HD21 HG12 ' A' ' 73' ' ' VAL . 8.9 mt -53.03 -46.41 68.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 65.43 109.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' CD ' ' A' ' 65' ' ' LYS . 4.1 tp10 -64.29 -18.23 64.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.55 110.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -72.75 -5.37 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 52.22 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.6 mt -119.98 51.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.42 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 62' ' ' GLU . 5.9 mmmt -50.11 -24.64 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.45 109.269 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.49 -44.15 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 72.31 109.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 64' ' ' LEU . 11.1 m-20 -72.26 107.4 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.02 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -72.72 -5.25 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.45 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.6 t -78.37 -40.22 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 73.44 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -61.53 -57.98 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 75.43 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -50.21 -28.09 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 73.42 110.331 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.785 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.15 -29.65 20.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.45 109.325 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 42' ' ' LEU . 3.4 t -79.69 -6.71 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.076 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -82.05 -36.65 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 70.14 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.501 HH21 HD23 ' A' ' 72' ' ' LEU . 5.8 ptt-85 -99.03 -5.37 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.5 tp-100 -86.82 -48.46 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 54.44 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 8' ' ' LEU . 26.5 m-90 -109.47 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 74.13 108.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.076 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.89 -28.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 61.32 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.06 18.47 74.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 40.5 110.963 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 74' ' ' ALA . 50.1 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 73.12 109.27 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 10.5 mt-10 . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 52.23 110.285 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 171.89 17.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 74.04 111.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.09 15.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 74.41 111.009 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD2' ' NH1' ' A' ' 98' ' ' ARG . 94.3 m-20 -104.5 26.76 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.43 109.24 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -42.35 -41.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 65.25 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.9 m -104.55 -40.84 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 62.12 109.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -43.16 -54.6 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 74.44 108.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -56.3 -39.99 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 63.21 109.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG22 ' HG ' ' A' ' 8' ' ' LEU . 40.8 t -64.01 -23.26 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 75.44 109.294 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.5 -40.63 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.42 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.446 ' NH1' ' OD2' ' A' ' 91' ' ' ASP . 13.5 mtt180 -71.18 -23.12 61.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 65.43 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.689 ' CD2' HD11 ' A' ' 43' ' ' LEU . 6.8 tt -74.4 -52.56 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.21 109.284 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m-85 -62.49 -28.11 69.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 63.44 111.026 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -53.67 -20.98 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 71.55 109.579 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.559 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.1 mt -97.13 -25.86 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.09 . . . . 75.11 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 106' ' ' GLU . 85.0 mt -70.52 -16.17 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 71.45 109.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.31 -1.81 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 74.1 109.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.54 -18.49 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 61.14 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.1 pt-20 -107.21 -6.04 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.03 110.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 74.45 24.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.22 109.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.651 HD21 ' NZ ' ' A' ' 22' ' ' LYS . 19.0 mt -80.56 -27.21 37.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 74.51 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.67 ' SG ' HD23 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -157.76 143.17 12.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 75.54 108.313 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.03 148.18 34.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 63.1 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.57 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -50.35 -22.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 63.13 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' ALA . 3.5 m -38.76 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 43.1 110.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.67 HD23 ' SG ' ' A' ' 109' ' ' CYS . 2.0 mm? -70.13 -54.48 12.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.43 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 ttp180 -38.52 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 65.45 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.4 OUTLIER -78.81 -69.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.25 109.31 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.2 t -39.41 -47.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.01 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -55.75 -63.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 74.31 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.8 m-85 -43.26 -43.85 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 61.32 110.962 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -53.06 -49.84 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 54.14 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.7 -16.94 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.12 110.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.492 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.92 -17.93 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 75.44 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.693 HG13 ' OE1' ' A' ' 137' ' ' GLN . 13.5 t -85.04 -31.24 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 75.44 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.3 OUTLIER -83.54 -29.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 73.51 110.311 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.548 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.8 t -68.61 -38.33 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.22 110.423 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.824 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -78.28 -32.91 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.51 109.366 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.6 t -68.4 -48.21 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 72.11 110.001 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -55.56 -52.89 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 61.2 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.433 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.0 OUTLIER -86.91 3.17 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 71.3 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.2 m-20 40.1 47.97 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 71.24 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 26.7 t0 -49.39 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.34 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.51 -2.57 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.14 109.624 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.436 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -114.36 5.83 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 63.42 110.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -53.2 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.21 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.803 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.9 -31.75 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 62.34 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.96 -35.89 80.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 65.23 110.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.4 tp -74.1 -39.05 63.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.55 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.693 ' OE1' HG13 ' A' ' 122' ' ' VAL . 47.1 mm-40 -62.68 -17.18 60.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 75.31 110.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -106.18 -18.02 14.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.2 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 0.3 OUTLIER -84.95 -59.81 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.5 110.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -51.77 -20.82 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.04 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 40.3 mtm180 -86.5 -58.72 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 65.32 110.36 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -50.68 -22.58 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 64.31 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.7 mmp_? -83.6 -78.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.44 110.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.52 -55.57 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.21 108.34 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.28 65.28 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 61.52 111.011 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.33 -169.21 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.109 . . . . 72.33 108.004 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.88 61.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.35 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.2 tt -70.4 -22.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.32 -24.74 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 33.21 109.309 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 51.12 111.035 -179.977 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 N-CA-C 110.95 -0.86 . . . . 45.14 110.95 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.559 1.82 . . . . 75.03 110.993 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t -179.77 170.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.22 110.047 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 1.021 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -61.01 -50.6 84.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.52 109.348 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.96 -34.87 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 71.05 111.057 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -43.92 -47.2 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.33 109.993 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.917 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.49 -38.13 83.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 75.31 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -66.02 -35.94 81.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.15 111.005 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.06 -30.47 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.41 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 11' ' ' ALA . 10.6 mt -75.16 -19.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.11 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -71.22 -57.18 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.25 109.328 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -65.06 -10.8 48.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 71.42 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.02 19.34 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 74.21 109.324 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.881 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.93 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 72.11 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.52 136.01 2.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 61.33 110.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 38.2 tp60 -37.76 -55.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 74.4 110.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -38.84 87.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 65.23 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.881 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 5.1 tptm -46.21 -31.47 2.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 54.4 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.515 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.96 -68.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 73.2 109.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' HD13 ' A' ' 51' ' ' LEU . 94.1 mt -39.91 -58.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.31 109.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.5 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 71.23 111.008 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 10.8 mt -39.15 -57.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 73.05 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -43.98 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.41 109.306 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 93.7 m-70 -54.58 -20.02 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 74.03 109.576 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HG3' HD23 ' A' ' 30' ' ' LEU . 1.2 tptm -84.66 -27.53 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 71.14 109.291 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 40' ' ' GLN . 4.2 mt -81.34 -24.81 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 75.44 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 27.6 mmtt -38.34 -32.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 61.54 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -102.81 107.07 53.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 72.21 110.422 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.792 . . . . 72.53 111.055 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -83.39 167.78 26.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.23 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.65 2.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 71.33 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.02 36.67 51.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 72.4 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 126.19 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 73.12 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.84 -0.08 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.23 110.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.26 -27.38 7.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 72.32 111.025 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.599 ' CG ' HD22 ' A' ' 30' ' ' LEU . 4.6 tt0 -79.98 -54.89 5.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 71.43 110.275 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.867 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.8 t0 -55.07 -40.57 70.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.24 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.679 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -60.65 -52.88 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 72.14 109.311 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 15' ' ' LEU . 15.0 tp -57.53 -29.04 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.32 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.594 ' HA ' HD12 ' A' ' 30' ' ' LEU . 7.9 t-160 -57.65 -32.87 67.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 72.23 109.598 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -81.19 -27.88 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 71.55 109.234 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.616 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 57.8 mtp -85.57 -8.26 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 63.21 110.955 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 43' ' ' LEU . 89.8 t -94.37 -51.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.3 109.276 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -42.11 -45.81 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.44 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.606 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.3 mt -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 54.41 109.287 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.492 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -40.21 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 74.02 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.69 HD12 ' NE2' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -95.18 -42.4 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.11 109.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.91 16.34 7.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 35.02 111.011 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.69 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.2 pt20 -118.05 71.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 60.15 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.03 -17.64 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 74.24 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.0 -35.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.087 . . . . 75.52 110.438 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' ILE . 16.6 mp0 -87.48 -44.41 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.31 110.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.577 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -43.63 -35.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.15 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -69.05 -44.29 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.23 110.279 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.5 mp -61.38 -55.11 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.43 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -48.28 68.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 72.25 110.027 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.9 mt -54.71 -48.48 72.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 74.21 109.328 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -65.06 -15.76 62.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.02 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.19 7.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 63.53 109.259 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.867 HD21 ' CB ' ' A' ' 41' ' ' ASP . 28.3 mt -125.07 54.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 60.42 109.264 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.506 ' C ' HH21 ' A' ' 71' ' ' ARG . 17.0 mtpp -64.9 -12.4 48.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.44 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.18 17.21 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.25 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' NE ' ' A' ' 71' ' ' ARG . 3.5 t0 -148.19 136.16 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 60.34 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.57 -28.99 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 34.42 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 95' ' ' ALA . 4.4 m -62.41 -34.34 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 72.31 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -66.78 -7.9 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 64.42 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.506 HH21 ' C ' ' A' ' 65' ' ' LYS . 6.0 mmt85 -98.47 -32.74 11.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 64.14 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.782 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -84.08 -29.16 27.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 73.12 109.271 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.68 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 28.2 t -76.58 -6.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.22 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.019 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.22 -38.17 17.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.2 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.782 ' NH2' HD23 ' A' ' 72' ' ' LEU . 5.2 ptt-85 -97.93 -6.22 32.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.13 110.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.1 tp-100 -88.77 -45.02 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 65.15 110.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 1.021 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.8 m-90 -109.11 -59.65 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 73.25 108.03 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.46 -31.94 47.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 73.12 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 61.8 42.51 99.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 61.11 110.978 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 74' ' ' ALA . 19.4 m . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 74.12 109.319 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.29 -0.263 . . . . 71.32 110.29 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.575 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 173.75 13.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 55.4 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.11 18.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 62.02 111.007 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -120.16 27.31 8.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 63.15 109.301 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.418 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.8 OUTLIER -49.33 -43.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.22 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -104.66 -33.1 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 74.44 110.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.023 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.0 t90 -55.58 -59.37 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 75.11 108.061 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.802 ' HB2' HG11 ' A' ' 69' ' ' VAL . . . -42.81 -48.93 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.24 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 96' ' ' VAL . 21.2 t -49.02 -41.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.12 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -71.83 -26.92 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 73.43 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 7.0 mmt180 -79.72 -26.68 40.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.43 110.293 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.716 ' C ' HD23 ' A' ' 99' ' ' LEU . 3.3 tt -83.65 -55.39 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.24 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.917 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.5 m-85 -58.3 -19.87 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.14 111.021 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -67.65 -24.53 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 62.43 109.583 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -93.81 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 74.24 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 108' ' ' LEU . 56.7 mt -62.87 -21.78 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 62.53 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.54 -13.02 61.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 70.1 109.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.67 -19.7 16.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.12 110.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -91.65 -5.69 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 54.01 110.317 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp 68.02 42.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 53.25 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 103' ' ' LEU . 55.2 mt -105.92 -30.01 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 73.43 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.1 p -149.01 148.95 28.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 44.44 108.271 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.41 38.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 44.22 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.9 -21.23 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 71.13 109.278 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.2 p -54.78 -44.21 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 63.52 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.411 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . 13.1 mt -66.69 -31.92 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 65.1 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 1.7 ttp180 -67.17 -30.45 70.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 63.34 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.11 -48.22 11.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 74.41 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 112' ' ' SER . 15.9 t -57.54 -36.79 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.51 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.21 79.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 73.53 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.877 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.3 m-85 -69.3 -41.37 76.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.52 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.9 mt-30 -56.09 -45.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 62.03 110.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.94 -12.8 57.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.42 110.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -93.74 -33.18 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 73.35 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -77.55 -29.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.13 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -32.89 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 64.34 110.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -76.26 -34.95 59.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 64.22 110.392 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.568 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -82.91 -37.89 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 75.22 109.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 46.3 t -70.42 -33.76 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.11 110.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.6 t -68.68 -40.47 80.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 60.24 110.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.444 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.7 ptt85 -97.89 2.89 49.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.34 110.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.0 m-20 45.74 50.66 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.12 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.45 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 19.1 t0 -54.98 174.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 70.23 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -93.76 -1.74 54.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 72.43 109.556 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -1.3 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.13 110.248 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 125' ' ' LEU . 3.0 tm? -47.23 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 43.45 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -46.39 -37.37 8.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 64.44 111.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.36 -34.89 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 65.5 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.8 tp -72.21 -37.55 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 74.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 44.9 mm-40 -64.87 -14.06 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.41 110.329 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -103.9 -23.91 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.41 109.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -76.19 -61.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.35 110.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -51.34 -21.41 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 55.55 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 145' ' ' GLY . 14.5 mtm180 -86.05 -62.78 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 62.52 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -49.15 -24.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 73.25 109.258 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.07 -79.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 74.22 110.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.98 -56.12 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.13 108.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.17 70.83 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 53.33 111.049 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.993 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.56 -169.58 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 73.45 108.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -114.03 61.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.33 109.266 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.993 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.7 tt -71.46 -34.79 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 50.42 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.39 -29.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 63.41 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 61.53 110.995 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.041 -0.824 . . . . 65.11 111.041 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.837 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.22 111.011 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 178.18 152.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 60.13 109.973 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.635 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -47.65 -50.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 75.2 109.271 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.91 -25.68 11.83 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 73.22 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -51.13 -45.26 61.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 71.41 110.031 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 62.41 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.72 -33.3 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 63.25 110.957 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.04 -48.83 61.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 73.23 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 109' ' ' CYS . 5.9 mt -62.64 -24.18 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 70.42 109.292 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.871 HD11 HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -61.18 -49.47 77.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.23 109.313 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 -3.22 56.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 71.13 110.975 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.69 15.99 21.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 64.42 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.794 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -93.41 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 62.21 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.9 134.65 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.535 1.147 . . . . 72.14 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.1 tp60 -37.88 -55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 74.14 110.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -38.58 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 63.41 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.794 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -48.37 -30.43 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 63.24 109.271 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -75.7 -67.51 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 71.32 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 65.7 mt -39.4 -53.21 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 62.03 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -55.72 -73.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 65.12 110.978 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 mt -37.59 -61.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.43 109.307 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.876 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.03 -70.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 61.45 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 91.6 m-70 -52.76 -20.26 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.31 109.617 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.906 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.77 -34.2 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 72.11 109.276 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.906 HD23 ' HG3' ' A' ' 29' ' ' LYS . 3.7 mt -71.07 -17.8 62.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.11 109.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mmtt -39.41 -30.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 71.02 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' NH1' ' A' ' 34' ' ' ARG . 3.1 m -112.46 95.45 31.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 22.1 110.407 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 164.01 34.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.513 1.796 . . . . 72.54 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.632 ' NH1' HG22 ' A' ' 32' ' ' THR . 4.5 mmm180 -102.08 161.31 23.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.44 110.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 75.01 111.015 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.29 12.57 35.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.089 . . . . 53.42 110.97 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -86.31 128.48 34.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 61.33 108.292 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.22 2.73 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.44 110.33 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -101.08 -27.0 7.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 61.31 111.023 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 8.0 tt0 -83.06 -60.17 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 55.2 110.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.754 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.5 t0 -50.24 -43.21 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.13 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG21 ' A' ' 73' ' ' VAL . 21.6 tp -59.72 -56.12 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 73.03 109.27 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 tp -54.46 -30.69 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 74.2 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.752 ' HA ' HD12 ' A' ' 30' ' ' LEU . 5.2 t-160 -55.6 -32.69 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 75.34 109.617 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -82.33 -23.66 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 64.24 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.619 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 74.6 mtp -87.25 -17.96 31.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 64.3 111.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 43' ' ' LEU . 21.2 t -86.49 -49.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 61.2 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -42.79 -39.39 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.4 109.3 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.5 mt -61.25 -47.33 86.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 72.34 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.678 ' HB3' ' HZ2' ' A' ' 50' ' ' LYS . 2.2 mmmp? -42.0 -28.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 64.45 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 27' ' ' LYS . 2.1 mt -93.13 -47.34 7.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 52.52 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.75 8.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 61.21 111.035 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.0 pt20 -111.17 85.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 75.31 110.256 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -80.68 -15.53 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 64.4 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -37.16 -35.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 54.23 110.442 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.4 mp0 -86.68 -43.83 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.24 110.337 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.83 -37.6 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 63.45 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -62.76 -42.83 99.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.3 110.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.1 mp -65.33 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.51 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -42.84 -51.68 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.3 109.993 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 70' ' ' ALA . 15.6 mt -54.19 -48.95 70.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 73.52 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -64.11 -12.25 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.14 110.27 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -87.22 11.34 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 74.04 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.754 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.4 mt -135.67 54.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.54 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -64.87 -13.37 56.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 71.24 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.68 52.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 53.42 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.37 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 61.44 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.05 -1.79 58.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 71.52 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.0 t -88.91 -38.52 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 73.13 109.258 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.848 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.18 -36.81 85.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 53.55 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -76.29 -23.91 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.11 110.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -91.78 -20.76 21.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 72.02 109.284 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.814 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 6.6 t -85.93 -6.89 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 73.2 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.015 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.95 -35.04 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.31 109.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.832 ' NH2' HD23 ' A' ' 72' ' ' LEU . 9.3 ptt-85 -98.55 -6.82 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 74.3 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp-100 -88.79 -44.79 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.52 110.356 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.814 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.5 m-90 -108.33 -59.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.03 107.987 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.015 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.79 -45.13 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 70.11 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 77.12 42.47 19.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 73.42 111.036 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.427 ' O ' ' O ' ' A' ' 79' ' ' GLY . 26.5 m . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 71.44 109.26 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.301 -0.259 . . . . 64.25 110.301 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 163.27 35.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 54.24 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 73.43 110.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -117.5 27.44 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.33 109.268 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.25 -38.32 76.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.44 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.7 t -101.32 -20.42 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.34 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.043 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.3 t90 -76.94 -63.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.01 108.011 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.75 -52.88 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 53.43 109.235 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 97' ' ' ALA . 9.0 p -61.37 -53.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.12 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.553 ' N ' HG13 ' A' ' 96' ' ' VAL . . . -50.87 -26.7 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 71.2 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.611 ' NE ' ' CD1' ' A' ' 94' ' ' TRP . 16.2 mtt180 -88.01 -31.77 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 64.23 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.886 HD21 HD13 ' A' ' 43' ' ' LEU . 3.8 tt -66.57 -44.4 82.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.12 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.17 -24.46 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.12 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.5 t60 -60.71 -26.75 67.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 72.24 109.621 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.3 mt -89.24 -35.91 15.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 62.11 109.251 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.2 -19.99 65.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.21 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.32 -13.41 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 72.45 109.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.38 -17.87 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.32 110.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.1 0.65 51.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 73.03 110.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 32.42 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.32 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.73 -32.53 11.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.32 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.3 m -140.87 145.07 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 71.22 108.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.72 42.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 52.15 110.989 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.17 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 62.12 109.347 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 116' ' ' VAL . 17.5 p -54.95 -34.31 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 73.21 110.014 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.837 HD12 ' HB3' ' A' ' 6' ' ' PRO . 3.1 mm? -76.24 -36.87 58.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 61.43 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.6 ttp180 -62.2 -24.91 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.34 110.268 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.613 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -83.58 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 70.22 109.315 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' SER . 40.2 t -50.03 -38.94 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 71.04 109.278 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -62.03 -61.93 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.02 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.815 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -46.2 -46.98 17.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 64.33 111.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' HG22 ' A' ' 122' ' ' VAL . 85.2 mt-30 -49.94 -56.68 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.9 -14.36 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 54.32 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -90.48 -34.63 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.44 109.372 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -75.59 -28.33 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.14 109.272 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -78.58 -29.0 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.21 110.278 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -73.72 -45.35 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.33 110.41 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.605 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -75.48 -30.84 60.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 62.31 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.573 ' OG ' HD21 ' A' ' 133' ' ' LEU . 28.8 m -73.33 -47.98 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 74.24 109.983 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.1 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.473 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -87.9 -7.36 57.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.23 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 53.23 41.12 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 44.15 109.252 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.495 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 24.6 t0 -54.61 179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 73.44 109.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -98.25 -4.41 35.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 63.22 109.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.4 OUTLIER -109.72 10.03 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.15 110.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.7 tm? -61.1 -68.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.05 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.19 -33.6 15.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 32.52 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.68 -35.01 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 63.12 110.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 94' ' ' TRP . 36.4 tp -70.75 -41.5 71.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 71.51 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.715 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 41.5 mm-40 -62.63 -13.77 35.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 70.52 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.48 -5.18 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.23 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.29 -46.4 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 64.41 110.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.67 -16.24 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.43 109.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 145' ' ' GLY . 45.6 mtm180 -91.67 -58.67 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 73.32 110.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.65 -22.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 63.3 109.311 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 14.0 mmp_? -85.52 -78.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 64.14 110.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.59 -55.48 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 63.12 108.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.78 67.82 0.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 62.5 110.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.03 -170.79 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 74.15 107.99 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.74 61.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 71.43 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.917 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.8 tt -68.14 -34.51 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 72.02 109.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.715 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -42.57 -30.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 71.05 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 44.42 111.003 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.006 0 N-CA-C 111.016 -0.834 . . . . 74.15 111.016 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -74.99 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 62.13 111.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t 179.85 174.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 61.05 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.653 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -68.93 -50.84 20.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 63.44 109.318 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.93 -30.01 7.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 62.31 110.981 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.42 ' HG ' ' HH ' ' A' ' 100' ' ' TYR . 38.1 t -47.17 -48.79 23.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 70.31 110.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.909 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.03 -29.6 67.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.11 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -77.72 -35.07 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 73.34 111.013 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -70.36 -38.36 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.97 -20.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 64.22 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -69.35 -60.99 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 70.23 109.321 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.12 -12.2 36.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 74.31 111.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.91 17.44 20.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 62.43 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -102.93 -75.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 72.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.793 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.35 137.93 2.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 75.33 110.976 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -43.22 -48.09 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 73.33 110.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.15 -28.19 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 72.1 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.8 tptt -58.99 -25.96 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 73.22 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.76 -54.68 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 72.01 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 51' ' ' LEU . 75.7 mt -48.62 -41.38 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.44 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -60.79 -78.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 75.21 111.012 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 56.0 mt -39.84 -38.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.41 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -53.5 -57.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 74.11 109.267 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 94.3 m-70 -62.44 -13.64 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.34 109.592 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -84.94 -40.42 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 62.13 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 HD23 ' A' ' 43' ' ' LEU . 3.3 mt -68.03 -22.0 64.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 70.24 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 34.5 mmtt -39.34 -31.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 62.42 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.2 m -115.45 92.07 31.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 73.32 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.86 42.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 75.02 111.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.19 158.01 36.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.2 110.258 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 75.45 111.035 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.3 22.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 71.55 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 129.52 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 73.02 108.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.64 1.57 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 65.41 110.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -102.78 -28.01 6.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 50.24 110.997 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.618 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 75.55 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.6 t0 -47.4 -40.24 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.25 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.06 -51.99 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 71.2 109.342 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 15' ' ' LEU . 7.0 tp -58.8 -32.83 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 72.52 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -59.41 -21.96 60.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.3 109.64 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.7 -19.96 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.03 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.614 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 30.9 mtp -98.74 -11.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 54.52 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.4 t -86.0 -53.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.54 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . 1.1 mm? -40.15 -49.17 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 75.21 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.9 mt -50.73 -53.44 31.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 72.32 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -41.07 -29.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.1 109.288 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.776 HD22 HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -88.02 -46.03 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.22 109.309 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 119.23 8.51 9.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.466 1.104 . . . . 42.54 111.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -121.36 83.02 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 73.12 110.264 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -73.34 -19.43 61.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.24 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.72 -37.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 51.1 110.385 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -82.82 -43.86 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 72.13 110.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . . . -47.54 -38.21 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 55.23 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -61.45 -44.62 96.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 64.35 110.33 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -60.14 -58.81 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.35 109.296 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -50.59 -45.2 57.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.22 109.993 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.6 mt -55.22 -43.87 74.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 73.33 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.05 -19.15 64.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 73.24 110.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.31 -5.26 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 63.05 109.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.0 mt -117.93 46.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 74.53 109.335 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.37 -23.12 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 72.13 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.76 -59.37 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.23 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.684 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.4 133.62 56.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.34 109.291 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.59 -12.39 37.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 73.21 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 95' ' ' ALA . 12.4 t -74.71 -23.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.34 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.871 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.97 -57.8 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 13.2 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.4 mpp_? -52.27 -52.61 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 63.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.553 ' C ' HD13 ' A' ' 72' ' ' LEU . 1.9 tm? -59.56 -40.57 87.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 62.35 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.997 HG21 HD11 ' A' ' 42' ' ' LEU . 24.1 t -71.9 -4.59 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 70.25 109.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.853 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.92 -52.45 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 74.34 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.462 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 0.1 OUTLIER -88.43 -6.8 57.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 72.43 110.262 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -86.91 -42.2 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 74.14 110.348 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.792 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.3 m-90 -116.97 -59.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 72.33 107.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -20.37 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 71.34 109.328 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 62.3 26.11 67.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 72.43 111.035 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.853 HG21 ' HB1' ' A' ' 74' ' ' ALA . 77.1 t . . . . . 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.31 109.309 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 110.334 -0.247 . . . . 71.13 110.334 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.5 Cg_endo -74.97 173.11 15.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 73.15 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 75.02 111.02 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 37.4 m-20 -119.86 23.21 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 72.21 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.5 OUTLIER -45.98 -37.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 74.33 109.338 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -105.51 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.42 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.934 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.2 t90 -44.8 -55.46 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.44 108.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.916 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -49.12 -45.41 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.23 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.653 HG22 ' HG ' ' A' ' 8' ' ' LEU . 30.9 t -58.86 -39.65 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.13 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.42 -63.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 52.25 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 17.3 mtt180 -50.28 -31.62 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.32 110.316 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.714 HD11 HD13 ' A' ' 43' ' ' LEU . 3.0 tp -67.23 -51.89 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.42 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.909 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-85 -70.09 -19.01 63.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 71.54 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.414 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 2.0 t60 -59.95 -24.24 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 55.42 109.585 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -97.33 -30.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 63.43 109.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 ' HB1' ' A' ' 11' ' ' ALA . 82.4 mt -64.26 -17.65 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 74.33 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.668 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -79.28 -11.61 59.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 70.21 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.67 -20.14 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 64.3 110.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.476 ' OE2' HD21 ' A' ' 26' ' ' LEU . 13.3 mm-40 -85.0 -19.23 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.12 110.284 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp 77.52 26.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 51.43 109.321 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.1 mt -90.63 -34.96 15.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 64.23 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 149.27 48.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.53 108.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.75 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 154.61 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 73.12 110.961 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.39 44.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.11 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.7 m -58.07 -26.46 62.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 42.21 109.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.75 HD23 ' HD2' ' A' ' 110' ' ' PRO . 3.5 mm? -80.71 -61.57 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.23 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.668 HH21 ' CB ' ' A' ' 104' ' ' ALA . 4.9 ttm180 -42.07 -34.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 71.3 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -68.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 75.13 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 t -46.47 -30.6 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 65.51 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -67.05 -49.46 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.12 109.28 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.547 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.6 m-85 -58.22 -48.97 78.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.33 110.977 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' VAL . 69.4 mt-30 -47.93 -60.63 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 72.22 110.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.41 -23.93 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 74.12 110.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -82.08 -30.77 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 42.52 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.669 HG22 HE22 ' A' ' 137' ' ' GLN . 36.1 t -64.2 -31.28 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 60.02 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' LEU . 20.3 mmt180 -75.47 -62.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 64.13 110.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.657 HG22 HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -37.95 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 72.34 110.377 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.921 HD22 HD22 ' A' ' 136' ' ' LEU . 4.7 mp -88.13 -61.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 71.12 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 46.9 t -38.43 -48.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.32 110.041 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.6 p -52.72 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 72.23 110.005 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.449 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.06 5.54 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.44 110.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.9 t0 41.15 37.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 60.1 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.449 ' CG ' HH21 ' A' ' 128' ' ' ARG . 16.0 t0 -40.32 157.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 63.14 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -78.43 -0.07 27.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.42 109.62 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.41 -1.66 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 75.32 110.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -49.66 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 72.14 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.76 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -45.12 -34.0 4.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 72.33 110.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.81 -39.36 80.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 65.44 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 94' ' ' TRP . 41.4 tp -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.34 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.669 HE22 HG22 ' A' ' 122' ' ' VAL . 55.4 mm-40 -69.69 -21.35 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 52.43 110.28 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.446 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 14.1 t70 -107.24 -2.72 20.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.23 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -99.64 -42.99 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.22 110.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.796 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -59.24 -16.66 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 64.14 109.32 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 145' ' ' GLY . 13.2 ptp180 -100.67 -44.54 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.52 110.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.507 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 10.7 t-20 -63.44 -10.15 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.31 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.07 -40.9 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 72.31 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -102.73 -57.57 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 73.34 108.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 108.88 70.27 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 72.43 110.973 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.916 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.6 OUTLIER -156.81 -174.77 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.997 -1.112 . . . . 74.44 107.997 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -109.16 64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.916 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.5 tt -67.14 -30.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 70.52 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.634 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -67.32 -10.24 48.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 72.44 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 51.04 110.981 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.996 0 N-CA-C 111.021 -0.831 . . . . 71.24 111.021 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.4 Cg_endo -75.03 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 73.23 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 179.9 177.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.22 110.014 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.669 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -69.2 -51.62 17.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 75.15 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -27.85 9.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 55.11 111.022 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -51.22 -41.06 60.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 73.44 110.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.839 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -66.96 -36.5 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 64.14 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -67.62 -35.65 79.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 75.42 111.007 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -68.01 -52.71 32.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.41 109.281 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.901 HD13 ' SG ' ' A' ' 109' ' ' CYS . 9.3 mt -61.03 -25.0 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 74.43 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -62.04 -50.61 71.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.14 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.508 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -73.97 -18.69 79.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 44.11 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -81.43 2.74 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 73.01 109.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.64 -69.27 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 71.44 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 169.92 137.15 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 71.03 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLY . 44.3 tp60 -37.62 -61.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 63.14 110.337 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.23 -34.53 77.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 63.3 109.265 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -50.28 -30.48 11.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 71.05 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.55 -56.33 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.11 109.292 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 51' ' ' LEU . 2.1 mm? -50.43 -53.29 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 65.45 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -51.38 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 75.3 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 40.8 mt -39.48 -47.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 60.53 109.343 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.02 -52.35 58.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 73.33 109.284 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.26 -13.45 28.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 73.21 109.618 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.88 -49.99 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.51 109.253 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.695 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.72 -13.06 40.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 30.0 mmtt -39.18 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.04 109.332 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.659 HG22 ' NH1' ' A' ' 34' ' ' ARG . 8.9 m -125.94 107.49 25.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.22 110.413 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.58 41.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 45.52 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.659 ' NH1' HG22 ' A' ' 32' ' ' THR . 3.4 mmm180 -97.95 161.09 26.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 74.33 110.336 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 71.44 110.986 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.8 7.93 37.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.118 . . . . 71.31 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.08 127.99 36.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.353 -0.981 . . . . 71.34 108.353 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.26 3.19 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.52 110.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.69 -25.04 8.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 62.04 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.695 ' CG ' HD22 ' A' ' 30' ' ' LEU . 6.6 tt0 -84.85 -54.82 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 71.42 110.337 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.799 ' HB3' HD11 ' A' ' 64' ' ' LEU . 17.9 t0 -56.81 -40.9 76.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 74.24 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 73' ' ' VAL . 18.4 tp -61.92 -53.18 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.45 109.266 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tp -58.4 -27.06 63.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 63.1 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.689 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.2 t-160 -63.49 -25.35 68.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 75.44 109.62 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.44 -14.17 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 52.23 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.641 ' SD ' HD11 ' A' ' 99' ' ' LEU . 55.7 mtp -98.61 -9.02 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 60.14 110.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 43' ' ' LEU . 55.2 t -95.44 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 73.53 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.55 109.299 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.0 mp -53.2 -49.53 66.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.55 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.2 mmmt -45.99 -29.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 75.21 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 24' ' ' LEU . 1.8 mp -85.12 -50.77 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.43 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.64 0.49 6.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 72.33 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.47 84.99 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 72.23 110.299 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -75.95 -18.22 59.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 75.22 110.321 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -40.51 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.32 110.374 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.4 mm-40 -93.38 -44.41 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.44 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.03 -39.35 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 75.3 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 61' ' ' LEU . 74.9 mtp180 -64.22 -53.28 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 72.22 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.2 mp -49.3 -44.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 64.55 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.61 -46.14 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.53 109.98 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.903 HD22 ' O ' ' A' ' 70' ' ' ALA . 7.1 mt -60.04 -30.7 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 70.52 109.335 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.29 -15.22 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 64.23 110.247 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . . . -77.56 -1.01 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 73.33 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.799 HD11 ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -121.81 51.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 72.11 109.285 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 2.1 mmmm -48.49 -33.59 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.42 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.72 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 72.25 109.294 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 69' ' ' VAL . 3.4 t0 -69.19 134.61 49.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.21 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.17 -31.86 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.53 109.267 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 m -57.45 -21.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.33 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.903 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -65.59 -47.72 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 72.12 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -64.27 -55.29 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.32 110.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.726 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -54.11 -50.13 67.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 62.43 109.266 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 69' ' ' VAL . 42.1 t -58.84 -15.79 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.15 109.263 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.821 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -75.48 -63.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.11 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.726 HH21 HD23 ' A' ' 72' ' ' LEU . 5.9 ptt-85 -73.19 -6.21 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.41 110.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 tp60 -87.72 -44.02 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 71.33 110.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.0 m-90 -114.22 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.986 -1.116 . . . . 74.23 107.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -45.42 -26.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 73.42 109.262 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.45 18.24 78.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 45.41 110.974 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.423 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.6 t . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 44.45 109.292 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 1.3 mt-10 . . . . . 0 N--CA 1.453 -0.305 0 N-CA-C 110.305 -0.257 . . . . 74.41 110.305 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.97 161.27 39.11 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 63.34 111.007 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.581 1.832 . . . . 52.14 111.067 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.58 ' OD1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -116.01 20.95 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 54.23 109.279 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -39.31 -78.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.53 109.283 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.43 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.3 m -70.57 -45.8 64.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 75.33 109.944 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.137 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -39.8 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.948 -1.13 . . . . 73.22 107.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.33 -56.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 62.4 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 92' ' ' VAL . 24.2 t -47.16 -43.88 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 73.43 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.0 -31.29 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.12 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' ALA . 4.5 mtt180 -81.11 -18.71 45.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.51 110.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -82.32 -46.65 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.45 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.839 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.3 m-85 -67.36 -20.26 65.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 70.54 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.11 -31.72 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 75.03 109.565 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.5 mt -88.92 -29.04 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 72.4 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 43' ' ' LEU . 56.1 mt -63.99 -19.69 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 65.33 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.89 -10.04 59.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 44.42 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.67 -20.38 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.33 110.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.51 -16.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.4 110.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp 77.14 23.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.21 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.3 -36.55 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 54.54 109.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.901 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.3 m -138.39 148.94 61.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.14 108.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 72.22 111.037 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.72 -14.92 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.2 109.328 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.5 m -56.98 -37.88 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 45.22 109.995 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.474 HD13 ' HE2' ' A' ' 100' ' ' TYR . 70.2 mt -70.32 -44.75 67.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 72.22 109.336 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.558 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.4 ttp180 -47.98 -23.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 64.43 110.278 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.589 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -84.87 -70.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.5 109.247 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.433 HG12 ' HD2' ' A' ' 6' ' ' PRO . 18.3 t -40.82 -30.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 75.51 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.527 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -72.07 -55.3 7.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 54.52 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.71 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -54.45 -44.34 72.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 61.45 110.985 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.514 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 62.5 mt-30 -54.39 -47.61 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.24 110.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.83 -12.77 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 54.33 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 124' ' ' THR . . . -94.97 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 73.14 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -52.15 -28.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 60.21 109.285 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CD ' ' C ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -65.48 -35.13 79.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 71.42 110.254 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.568 HG23 HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -83.26 -33.29 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.04 110.382 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 3.6 mt -74.37 -30.13 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.2 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 t -78.63 -41.11 32.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 74.32 109.995 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -59.12 -40.03 84.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 54.41 110.009 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.437 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 3.2 ptt85 -101.86 4.74 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.41 110.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 130' ' ' ASP . 4.0 m-20 40.19 48.14 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 73.52 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -47.51 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 74.23 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -87.75 0.69 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 72.22 109.637 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -119.88 4.11 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 62.13 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 HE21 ' A' ' 137' ' ' GLN . 0.9 OUTLIER -54.11 -65.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 52.53 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.793 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -51.77 -31.45 30.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 74.35 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.87 -32.66 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 71.33 110.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.137 HD13 ' CE2' ' A' ' 94' ' ' TRP . 37.2 tp -73.23 -44.75 59.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.05 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.923 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 6.8 mm-40 -64.96 -13.74 58.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.33 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.3 -15.35 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 63.55 109.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -92.29 -58.44 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.55 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 61.23 109.291 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 145' ' ' GLY . 55.8 mtm180 -86.29 -59.47 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 75.11 110.299 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.72 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.4 OUTLIER -50.94 -22.64 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.11 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.72 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.5 mmp_? -83.97 -78.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.44 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.25 -56.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 60.41 108.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 103.13 64.93 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 71.11 110.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -148.58 -168.6 3.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.005 -1.109 . . . . 75.51 108.005 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.45 63.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 65.51 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.601 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.1 tt -62.62 -40.2 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 71.45 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.6 -26.9 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.11 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 63.25 111.034 -179.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 N-CA-C 111.014 -0.834 . . . . 54.31 111.014 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.521 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.03 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 65.15 111.027 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 81.8 p -179.69 -179.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 51.4 109.972 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.871 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -70.73 -50.58 12.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.34 109.278 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -38.46 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 70.44 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 10.7 t -40.96 -45.23 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 54.24 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.64 -45.52 93.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 43.21 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.729 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -57.59 -34.86 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 74.12 111.047 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.28 -52.34 48.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 65.13 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.65 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.0 mt -61.77 -20.07 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 63.15 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 ' O ' ' A' ' 46' ' ' MET . 1.2 tp -71.83 -41.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 72.23 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.536 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.55 1.94 80.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 34.13 111.025 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.75 6.78 21.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 34.03 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.54 -63.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.11 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 158.82 135.05 1.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 55.21 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.5 tp60 -36.76 -63.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 53.32 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -37.47 76.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.51 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.855 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -50.12 -30.04 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.41 109.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.511 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.43 -57.74 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 72.21 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.9 mm? -48.91 -54.02 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 64.43 109.308 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.9 t80 -52.7 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 65.4 111.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' LYS . 58.6 mt -38.98 -60.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 70.25 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -45.38 -48.32 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.12 109.311 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 81.3 m-70 -62.39 -32.76 73.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.31 109.629 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.3 tttp -72.71 -31.99 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 72.32 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.7 mt -73.08 -20.95 60.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.13 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 8.3 mmtt -39.29 -30.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.54 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 m -108.56 100.75 39.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 71.13 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.57 31.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 75.12 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.511 ' CA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -114.24 166.97 10.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 71.44 110.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.92 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 71.25 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.02 15.19 36.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 33.23 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 16.0 p -67.98 123.74 21.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.279 -1.008 . . . . 74.44 108.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.65 0.39 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.14 110.333 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -116.47 -33.06 1.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 61.12 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.3 tt0 -74.59 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 71.31 110.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.768 ' CB ' HD21 ' A' ' 64' ' ' LEU . 3.4 t70 -53.51 -36.75 62.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.03 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 73' ' ' VAL . 4.7 tt -61.34 -57.31 12.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 73.42 109.289 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 99' ' ' LEU . 1.7 tt -55.72 -30.09 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 64.05 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.567 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.0 t-160 -56.05 -31.17 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.41 109.545 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -83.74 -26.29 29.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 73.14 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 99' ' ' LEU . 75.9 mtp -80.19 -12.06 59.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 61.04 110.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' LEU . 97.0 t -95.17 -51.19 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.12 109.309 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.845 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.35 -48.98 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 61.55 109.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 77' ' ' TRP . 6.0 mp -53.66 -50.49 65.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.22 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmmt -51.43 -24.79 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.43 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.845 HD12 HD13 ' A' ' 48' ' ' LEU . 9.4 mt -87.12 -43.64 12.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 64.31 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.56 15.42 8.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 75.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -131.67 80.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 74.24 110.302 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.9 pt-20 -73.48 -18.4 61.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 63.01 110.256 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.26 -34.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 73.23 110.368 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 12.1 mp0 -86.29 -45.61 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.43 110.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -44.83 -41.0 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 63.31 109.316 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -60.19 -40.55 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 71.01 110.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -63.35 -59.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 62.35 109.295 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -49.69 -52.4 31.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.14 110.002 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 74' ' ' ALA . 8.5 mt -56.19 -42.01 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.13 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.39 -15.06 60.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.31 110.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' ILE . . . -88.53 12.82 13.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 71.22 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.768 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.4 mt -125.13 53.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.33 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -58.65 -17.36 21.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.2 109.282 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.05 -56.15 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 72.24 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.531 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -73.85 131.35 41.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 72.25 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.24 -5.06 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 74.43 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.891 HG22 ' HG2' ' A' ' 89' ' ' PRO . 86.3 t -90.51 -53.47 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.32 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -45.8 -28.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 63.01 109.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -40.57 38.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 63.41 110.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.938 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -72.79 -10.84 60.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 62.15 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.858 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.9 t -91.85 -5.62 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.1 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.071 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.67 -35.2 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 65.31 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.938 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.5 ptt-85 -99.12 -5.75 29.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 72.41 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -89.33 -45.79 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 54.32 110.306 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.871 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.4 m-90 -108.34 -61.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 63.45 107.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.071 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.35 -23.89 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 72.14 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 72.79 19.41 79.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 75.34 111.022 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.442 ' N ' ' HA ' ' A' ' 75' ' ' ARG . 2.5 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 51.21 109.301 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.4 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.331 -0.248 . . . . 71.04 110.331 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.891 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 160.4 40.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 71.2 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 70.43 111.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.887 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -118.33 27.02 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 75.44 109.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.67 -78.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 74.34 109.276 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.477 ' H ' HG23 ' A' ' 92' ' ' VAL . 11.1 t -65.67 -46.62 78.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 72.44 110.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.077 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.2 t90 -41.33 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 74.03 108.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.8 -55.41 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 70.42 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 23.1 t -47.84 -40.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 64.24 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -71.75 -29.06 64.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.157 . . . . 75.12 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.517 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 5.2 mmt180 -75.03 -22.56 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 62.43 110.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 43' ' ' LEU . 3.5 tt -82.18 -52.26 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 71.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.977 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m-85 -60.4 -17.88 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.11 110.974 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.92 -26.51 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.11 109.612 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -92.76 -30.78 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 63.32 109.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.742 HD13 ' SG ' ' A' ' 109' ' ' CYS . 15.1 mt -62.96 -25.92 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 64.53 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.97 -9.89 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.14 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.46 -19.84 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.42 110.339 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.68 -18.59 26.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 73.33 110.296 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm 78.42 31.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 70.34 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.7 mt -102.73 -36.53 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 72.04 109.302 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.2 m -131.55 145.23 56.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 64.03 108.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.23 20.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 64.23 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.95 -10.24 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 61.43 109.249 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -64.08 -34.9 79.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.24 110.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.87 -43.72 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.21 109.285 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -49.78 -24.27 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.23 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.473 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 1.4 m-20 -84.37 -71.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.15 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.3 t -39.61 -34.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 63.31 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -69.39 -55.18 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.04 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.72 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.3 m-85 -53.32 -46.95 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.655 ' O ' HG22 ' A' ' 122' ' ' VAL . 73.7 mt-30 -48.23 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 55.14 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.45 -21.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.12 110.288 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -81.71 -42.97 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 54.13 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.3 m -66.01 -22.85 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 71.34 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.62 -69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 75.51 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -41.47 -27.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 73.43 110.359 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 6.4 mt -83.97 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 63.2 109.251 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 133' ' ' LEU . 7.2 t -37.24 -39.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 52.4 110.014 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -60.67 -56.84 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.55 109.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -81.84 5.26 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.43 110.312 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.0 t0 43.6 38.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 74.54 109.304 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.5 t0 -41.3 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.21 109.29 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -81.46 -1.98 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.42 109.592 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -2.56 14.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 72.24 110.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.97 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 71.52 109.329 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.31 -32.77 7.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 74.04 111.013 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.47 -34.71 74.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 72.33 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.077 HD13 ' CE2' ' A' ' 94' ' ' TRP . 30.9 tp -69.8 -40.46 75.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.31 109.266 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.826 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.3 mm-40 -66.17 -17.95 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.02 110.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -98.51 -8.04 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.33 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.427 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -98.3 -53.08 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 64.44 110.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.28 -17.26 11.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 55.22 109.307 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.7 mtm180 -93.82 -58.83 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 61.1 110.331 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.78 -20.28 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 34.12 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 139' ' ' GLU . 9.2 mmp_? -84.62 -73.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 74.35 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -71.8 -56.24 6.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 63.51 108.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 105.0 64.31 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 54.13 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.78 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -146.43 -169.89 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 73.13 107.997 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.34 66.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 60.53 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.78 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.8 tt -70.15 -38.38 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 62.42 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.826 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.8 -23.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.11 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 73.13 110.996 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 110.998 -0.841 . . . . 64.01 110.998 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.98 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 54.12 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t 179.38 177.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 74.2 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.795 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.57 -53.14 31.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.12 109.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 -27.31 10.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.33 111.048 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.411 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 10.0 t -49.77 -46.35 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 61.15 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 1.035 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -64.23 -32.34 73.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 62.42 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -65.08 -34.17 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.25 110.994 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.19 -35.15 71.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.21 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.9 HG21 ' SG ' ' A' ' 109' ' ' CYS . 9.7 mt -72.92 -17.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.11 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.636 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.4 mt -71.14 -52.27 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.42 109.256 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.35 -2.14 58.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.55 1.156 . . . . 71.33 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.95 -23.89 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 73.35 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.849 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -58.8 -66.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 53.12 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.5 139.77 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 75.54 110.952 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -39.79 -64.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 64.32 110.326 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.52 -24.2 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.42 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.849 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -63.78 -17.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 73.5 109.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.6 mt -91.57 -47.64 7.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.33 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 76.6 mt -59.17 -51.08 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 63.5 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.645 ' C ' ' CD1' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -51.64 -61.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 72.34 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 108' ' ' LEU . 42.7 mt -54.48 -40.41 68.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 73.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tmmt? -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 61.12 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 88.3 m-70 -75.19 -0.66 20.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.23 109.633 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 3.0 tptt -94.98 -41.91 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 63.35 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.778 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -77.49 -11.48 59.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.42 109.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 12.2 mmtt -37.12 -33.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 75.13 109.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -118.4 120.41 32.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 54.31 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.33 37.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 45.44 111.031 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -110.04 162.74 19.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.23 110.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 74.3 111.002 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.7 29.37 9.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 71.04 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 125.34 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.323 -0.991 . . . . 73.5 108.323 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.68 2.22 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 74.53 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -105.34 -24.57 7.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.105 . . . . 44.41 111.025 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.2 tt0 -82.87 -53.26 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 74.34 110.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.785 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.0 t0 -59.7 -40.94 89.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.43 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 1.055 HD21 HG21 ' A' ' 73' ' ' VAL . 1.8 tt -62.01 -52.33 64.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 63.42 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 99' ' ' LEU . 5.7 tp -57.88 -28.95 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 74.11 109.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.7 t-160 -61.25 -27.49 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.32 109.581 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -89.55 -13.94 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 64.51 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 99' ' ' LEU . 49.4 mtp -98.16 -7.92 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 72.23 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.8 t -95.24 -53.26 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 74.21 109.269 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -41.32 -41.8 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 71.54 109.317 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 77' ' ' TRP . 1.2 mp -60.25 -48.55 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 64.31 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -41.29 -29.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 61.32 109.293 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 23' ' ' LEU . 2.8 mt -97.36 -37.67 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 71.44 109.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 111.75 19.19 7.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 61.41 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HB2' HD12 ' A' ' 48' ' ' LEU . 3.1 mt-30 -116.56 59.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 73.3 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.2 pt-20 -61.74 -20.26 63.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 62.22 110.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.86 -44.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 61.23 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.9 mp0 -79.58 -41.13 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 72.52 110.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -47.78 -33.32 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 53.31 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.13 -36.52 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.53 110.266 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.0 mp -67.77 -51.03 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 73.31 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 m -56.13 -51.08 69.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.54 109.973 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.6 mt -50.73 -43.44 58.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 62.32 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.98 -29.61 70.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.33 110.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -65.32 -12.57 53.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 75.2 109.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.29 48.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.45 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.3 -15.8 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.306 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.77 -25.34 26.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 72.44 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.3 110.33 21.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 73.45 109.268 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -68.79 -8.69 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.33 109.342 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -83.12 -31.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 73.12 109.257 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.899 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -68.04 -69.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 53.12 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.417 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -50.23 -21.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 72.11 110.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.886 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -82.36 -34.06 28.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 73.04 109.337 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 1.055 HG21 HD21 ' A' ' 42' ' ' LEU . 4.8 t -73.71 -6.79 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.14 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.985 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.55 -36.27 24.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 64.53 109.296 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.811 ' NH2' HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -97.92 -6.14 32.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 73.22 110.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 4.4 tp-100 -89.4 -44.91 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.23 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.838 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.4 m-90 -108.9 -59.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 64.11 107.967 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.985 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -42.43 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.54 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 74.51 41.95 34.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 64.31 110.969 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.424 ' O ' ' O ' ' A' ' 79' ' ' GLY . 23.2 m . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 63.44 109.332 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.486 ' HB3' HG11 ' A' ' 92' ' ' VAL . 2.7 mt-10 . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 110.298 -0.26 . . . . 64.14 110.298 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.02 164.66 32.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 73.01 110.984 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.04 10.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 75.11 111.055 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 44.1 m-20 -119.23 26.94 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.15 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.82 -79.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 64.32 109.32 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.446 ' H ' HG23 ' A' ' 92' ' ' VAL . 58.8 m -68.34 -47.67 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.21 109.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.1 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -40.16 -68.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 63.5 108.01 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.73 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 64.11 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 92' ' ' VAL . 22.0 t -48.85 -44.52 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 63.3 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.482 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.89 -30.15 70.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.23 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.445 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 55.4 mtt180 -80.43 -22.82 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 75.11 110.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 43' ' ' LEU . 5.3 tt -81.97 -48.15 11.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 75.22 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 1.035 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.9 m-85 -66.73 -27.77 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 73.14 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.6 t60 -53.8 -29.15 39.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 63.4 109.61 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 1.7 mt -87.85 -40.52 13.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.21 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.425 HD22 HD12 ' A' ' 108' ' ' LEU . 96.0 mt -61.81 -14.58 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 75.11 109.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.936 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.85 -23.03 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 52.44 109.28 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.85 -20.21 16.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.12 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' ' HG ' ' A' ' 108' ' ' LEU . 67.3 mm-40 -79.5 -8.76 59.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 75.4 110.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HB3' ' HZ2' ' A' ' 107' ' ' LYS . 1.0 OUTLIER 67.83 20.22 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.11 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 35.2 mt -91.58 -37.82 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.03 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.9 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -137.03 148.73 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.25 108.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.93 25.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 63.21 111.035 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.83 -4.99 54.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 73.03 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 115' ' ' ASP . 16.1 m -75.82 -8.02 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.24 110.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.9 mt -100.62 -27.04 13.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 64.54 109.262 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.936 HH21 ' CB ' ' A' ' 104' ' ' ALA . 13.0 ttm180 -73.5 -28.15 61.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 71.15 110.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 2.0 p30 -77.81 -50.57 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.41 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.3 t -61.71 -34.48 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.22 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.55 90.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 74.02 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.892 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.8 m-85 -65.77 -43.59 88.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 63.22 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.2 mt-30 -52.94 -50.22 64.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.52 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HB3' ' NH2' ' A' ' 123' ' ' ARG . 49.2 mt-10 -64.22 -10.75 25.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.12 110.361 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -96.57 -29.08 14.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 72.11 109.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.07 -29.07 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 61.11 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.83 -21.06 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 74.43 110.327 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.661 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -82.62 -40.02 21.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 70.31 110.398 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 124' ' ' THR . 4.8 mp -80.67 -36.52 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.33 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 29.7 t -68.09 -37.84 81.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.23 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 t -63.99 -43.88 94.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 65.51 109.986 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -89.94 -5.27 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 63.44 110.313 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 45.1 t0 54.74 43.38 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.53 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 20.3 t0 -52.13 177.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 71.12 109.276 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -98.24 2.37 48.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.2 109.6 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.2 -3.26 12.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 71.42 110.306 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.25 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 71.22 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.695 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.6 -34.2 13.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 71.1 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.05 -32.86 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 73.5 110.317 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.1 HD13 ' CE2' ' A' ' 94' ' ' TRP . 32.9 tp -72.08 -41.8 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 70.33 109.263 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.794 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 40.6 mm-40 -62.81 -13.57 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 72.02 110.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -106.66 -4.81 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.41 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.6 tt0 -99.33 -45.32 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 53.44 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -69.5 -13.99 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 53.42 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' GLY . 28.0 mtm180 -92.92 -61.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 74.53 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.55 -22.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.24 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.441 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.6 mmp_? -84.7 -78.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 73.42 110.328 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.49 -55.21 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.52 108.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.5 69.01 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 60.54 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.13 -170.57 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.976 -1.12 . . . . 71.02 107.976 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.49 63.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.33 109.278 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.8 tt -72.35 -18.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 64.35 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -71.23 -6.92 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 72.42 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 55.33 111.047 -179.941 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.026 -0.829 . . . . 63.1 111.026 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -168.14 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.523 1.801 . . . . 73.41 110.991 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.64 177.83 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 71.35 110.02 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.84 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.09 -52.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.11 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -29.32 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 65.54 111.019 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 t -47.71 -45.47 28.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.35 109.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.89 -30.74 71.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.21 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -68.78 -36.89 78.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.44 111.044 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.08 -35.16 71.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 71.53 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 11' ' ' ALA . 9.8 mt -70.66 -26.06 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 70.12 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 HD21 ' A' ' 43' ' ' LEU . 1.6 mt -61.11 -50.78 71.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 71.43 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.3 58.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 70.42 110.964 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.69 15.34 28.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.777 . . . . 73.11 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.67 -61.2 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 71.14 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 154.96 132.77 1.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 72.01 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' GLY . 40.8 tp60 -37.29 -56.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 75.12 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.29 -40.73 96.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.05 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -47.49 -31.59 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 71.42 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -52.1 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 41.14 109.3 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.6 mm? -53.52 -50.13 66.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 63.43 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.41 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.42 110.99 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' OE2' ' A' ' 106' ' ' GLU . 33.8 mt -42.94 -43.3 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 71.2 109.27 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -53.49 -52.79 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 54.33 109.269 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.9 m-70 -62.8 -12.97 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.11 109.609 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -86.68 -50.62 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 65.53 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.64 -13.27 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 70.41 109.321 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 21.0 mmtt -38.78 -40.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 51.44 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' NH1' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -119.91 120.55 30.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.32 110.443 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 74.4 111.012 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 7.6 mmm180 -103.34 163.43 17.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 71.42 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 97.62 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 63.12 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.74 22.76 15.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 72.22 111.027 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 125.19 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.278 -1.008 . . . . 70.4 108.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.91 0.63 6.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 75.22 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.52 -28.41 7.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 73.31 110.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG2' HD22 ' A' ' 30' ' ' LEU . 5.0 tt0 -78.89 -56.78 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 73.32 110.341 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.783 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.3 t0 -53.14 -40.16 64.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.41 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.954 HD21 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -63.4 -54.74 31.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.45 109.251 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 103' ' ' LEU . 1.1 tt -54.34 -27.62 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 70.4 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.841 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.0 t-160 -60.54 -33.83 73.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 74.15 109.61 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -78.49 -29.16 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 74.42 109.255 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.425 ' HE2' ' HB3' ' A' ' 46' ' ' MET . 84.9 mtp -83.64 -9.47 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.33 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.618 HG23 ' CD2' ' A' ' 43' ' ' LEU . 14.2 t -95.23 -53.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 70.01 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -40.27 -45.39 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.04 109.307 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 54' ' ' GLU . 12.8 mt -55.6 -49.44 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.44 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 1.9 mmmp? -45.33 -26.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 71.04 109.322 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.595 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -92.07 -43.61 9.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 73.22 109.303 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.64 16.86 6.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 71.14 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.559 ' NE2' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -126.06 83.24 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 63.45 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -77.34 -17.43 58.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 62.45 110.302 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.94 -34.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 71.23 110.354 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ILE . 4.2 mp0 -89.51 -45.14 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.41 110.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.16 -41.01 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.14 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -57.56 -46.2 84.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.12 110.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mp -59.21 -61.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.54 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.31 -53.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 63.33 109.981 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 70' ' ' ALA . 2.6 mt -56.62 -47.13 80.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 71.31 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' ILE . 41.6 tp10 -64.21 -15.15 59.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.12 110.286 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.73 17.26 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 60.13 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.783 HD21 ' CB ' ' A' ' 41' ' ' ASP . 2.8 mt -138.31 54.49 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.33 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 9.1 mmmm -67.88 -9.86 48.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.22 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 -23.41 36.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 51.24 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.21 139.27 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 24.23 109.316 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.419 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . . . -91.46 -18.35 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 55.53 109.3 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 ' CB ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -77.52 -17.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 71.45 109.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.11 -64.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 63.25 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -56.75 -35.9 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 72.13 110.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.781 ' C ' HD13 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.7 -31.11 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.12 109.333 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.954 HG21 HD21 ' A' ' 42' ' ' LEU . 10.3 t -76.59 -5.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 54.2 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.935 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.05 -37.76 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 72.13 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.484 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 6.9 ptt-85 -98.49 -8.09 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.05 110.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 tp-100 -88.04 -43.64 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 73.41 110.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.84 ' CH2' HD22 ' A' ' 8' ' ' LEU . 20.5 m-90 -109.6 -58.23 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.31 108.018 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.935 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.49 -32.97 70.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.31 109.326 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.44 35.72 90.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.448 1.093 . . . . 62.02 111.032 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.579 HG22 ' C ' ' A' ' 74' ' ' ALA . 15.8 m . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 75.34 109.316 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 110.291 -0.263 . . . . 74.3 110.291 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' HG23 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 73.33 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' PRO . 18.3 Cg_endo -75.0 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 61.31 111.007 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.62 25.03 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.13 109.313 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -44.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.53 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' VAL . 2.7 m -106.42 -38.87 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 61.32 110.016 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.058 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -46.05 -48.68 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 74.42 107.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.867 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -58.73 -36.84 74.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 63.14 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' SER . 30.6 t -65.83 -18.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 73.54 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.83 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -91.09 -32.84 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 63.04 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.585 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 43.1 mtt180 -84.02 -20.15 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 74.45 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.0 tp -85.05 -50.27 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.34 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.5 m-85 -64.74 -27.47 68.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 75.42 111.025 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.6 t60 -60.19 -18.86 51.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 62.44 109.621 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 7.7 mt -97.25 -24.7 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.31 109.265 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 43' ' ' LEU . 48.2 mt -71.52 -23.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 63.31 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 61.45 109.279 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . 0.4 ' CD ' ' HA ' ' A' ' 102' ' ' LEU . 5.5 mt-10 -99.19 -18.76 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 54.33 110.351 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.758 ' OE1' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.84 -8.64 16.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 72.1 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 76.64 40.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 71.03 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 103' ' ' LEU . 9.2 mt -95.84 -39.51 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 43.33 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -140.64 147.71 50.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 52.3 108.267 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.6 Cg_endo -74.96 146.4 32.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 60.15 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -46.18 -25.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 73.24 109.273 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.974 ' O ' HG23 ' A' ' 116' ' ' VAL . 70.1 m -51.63 -45.37 63.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 72.14 110.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.23 -31.98 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.3 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.551 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 3.0 ttp180 -66.52 -30.35 70.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.44 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.3 OUTLIER -84.0 -47.18 11.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.1 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 112' ' ' SER . 22.1 t -57.7 -36.96 56.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.02 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.58 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.15 109.314 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.83 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 2.9 m-85 -65.95 -45.95 79.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 73.12 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -51.0 -53.32 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 72.23 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -17.16 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.32 110.31 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.78 -19.01 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.12 109.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.629 HG13 ' OE1' ' A' ' 137' ' ' GLN . 29.7 t -85.81 -25.37 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 63.22 109.319 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -87.46 -29.15 21.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 72.55 110.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.9 t -69.62 -45.69 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 74.23 110.42 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.913 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.4 mp -65.79 -43.42 88.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 65.14 109.318 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.51 ' OG ' HD21 ' A' ' 133' ' ' LEU . 15.8 m -64.19 -46.19 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.22 109.949 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 m -54.08 -54.52 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 73.53 110.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.407 ' NE ' HD12 ' A' ' 125' ' ' LEU . 7.9 ptt180 -81.52 -4.46 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.52 110.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.4 t0 45.22 57.74 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.55 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.04 -174.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.13 109.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.27 0.55 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 75.24 109.611 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.553 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -110.14 10.08 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 70.31 110.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.51 HD21 ' OG ' ' A' ' 126' ' ' SER . 2.9 tm? -61.51 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.12 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.458 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.54 -28.23 28.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 42.31 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.61 -30.78 69.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 70.21 110.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.058 HD13 ' CE2' ' A' ' 94' ' ' TRP . 47.6 tp -80.43 -38.14 30.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.24 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.7 mm-40 -62.35 -15.28 47.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.18 -3.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 71.54 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -99.24 -46.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 70.32 110.336 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -68.4 -10.7 56.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 51.22 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 55.7 mtm180 -97.5 -59.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 75.54 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -22.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 64.43 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 15.1 mmp_? -86.13 -78.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 64.35 110.29 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.8 -55.64 16.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 63.41 108.273 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.0 68.88 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 72.44 110.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.973 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -149.28 -169.88 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.997 -1.112 . . . . 75.44 107.997 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -113.59 61.2 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 63.44 109.34 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.973 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.7 tt -72.22 -18.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.12 109.335 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -61.47 -15.0 33.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 75.5 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 71.23 110.988 -179.994 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' HG11 ' A' ' 116' ' ' VAL . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 111.025 -0.83 . . . . 32.0 111.025 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.676 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 -170.48 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 61.3 111.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.553 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 m -170.06 -177.82 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.41 109.969 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.489 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.81 -53.99 10.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.21 109.233 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -75.0 -30.63 6.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 72.35 111.005 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -47.14 -46.21 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 52.24 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.53 -31.73 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.23 109.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.813 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -70.25 -36.48 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 61.02 110.985 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.23 -52.55 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 61.11 109.251 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 6.9 mt -61.87 -24.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.13 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -51.93 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 62.23 109.343 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.468 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -74.15 -14.46 80.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 73.32 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -86.35 3.29 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 72.21 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.872 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -83.06 -70.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.34 109.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 170.91 136.8 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 44.02 111.016 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 51.2 tp60 -37.41 -60.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 71.12 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.03 -35.18 79.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 62.41 109.312 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.872 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 tptt -49.1 -30.64 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.53 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -56.29 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 64.41 109.274 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.4 mm? -50.01 -52.43 34.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 72.51 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -51.79 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.42 110.98 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 62.7 mt -39.65 -46.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 73.41 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.08 -52.72 57.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 74.22 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.7 m-70 -61.38 -14.25 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 73.22 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -86.33 -49.92 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 72.2 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.785 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -63.24 -13.69 40.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 50.41 109.297 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 29.7 mmtt -39.4 -33.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.23 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -123.52 109.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 65.21 110.409 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.8 38.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 75.2 111.037 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -91.36 160.51 36.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 74.24 110.323 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 97.51 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 71.2 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.92 9.38 32.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 73.23 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.39 126.85 36.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 75.03 108.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.417 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.4 2.69 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 51.35 110.281 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.507 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.63 -25.14 7.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 52.31 111.018 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.785 ' CG ' HD22 ' A' ' 30' ' ' LEU . 7.3 tt0 -83.6 -55.59 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 74.32 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.8 t0 -57.28 -40.52 77.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 60.22 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 73' ' ' VAL . 18.1 tp -62.08 -48.93 78.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 53.41 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.0 tp -60.13 -31.98 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 63.32 109.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.63 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.1 t-160 -60.1 -23.71 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 73.24 109.63 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . . . -82.96 -20.65 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 53.34 109.253 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.7 mtp -97.38 -11.1 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.23 110.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 43' ' ' LEU . 44.5 t -87.98 -58.11 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.5 109.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 51' ' ' LEU . 1.4 mm? -40.82 -33.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 74.2 109.297 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 1.4 mt -61.31 -52.77 63.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 72.53 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 mmmt -51.93 -21.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 73.24 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 48' ' ' LEU . 2.7 mt -88.96 -43.13 11.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 62.23 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.33 21.58 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 62.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.85 79.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 75.13 110.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.52 -19.06 63.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 70.04 110.357 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -39.69 -29.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 64.33 110.389 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm-40 -93.94 -43.46 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 74.24 110.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.22 -36.54 3.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 54.34 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.2 mtp180 -68.37 -55.8 10.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 75.23 110.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.1 mp -47.68 -46.92 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.45 109.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -59.03 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 62.21 109.976 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 74' ' ' ALA . 12.6 mt -55.24 -42.18 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 73.43 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.42 -16.03 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 55.14 110.347 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -83.25 5.62 22.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 75.44 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 41' ' ' ASP . 7.7 mt -122.04 49.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 43.14 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -54.02 -22.92 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 72.14 109.279 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.38 28.38 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 61.11 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.13 132.01 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 60.44 109.268 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -89.88 -24.29 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 70.4 109.298 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.1 t -66.48 -14.73 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 71.03 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -77.44 -48.54 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 43.41 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -66.35 -22.9 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 75.02 110.264 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 72' ' ' LEU . 1.2 tm? -89.08 -41.97 12.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.52 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 42' ' ' LEU . 25.0 t -69.45 -8.84 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 73.13 109.32 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.065 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -81.13 -39.43 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 61.54 109.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -98.39 -6.02 31.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 72.55 110.291 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.9 OUTLIER -84.34 -44.47 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.45 110.29 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 27.0 m-90 -116.49 -62.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 74.21 107.97 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.065 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.3 -29.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 74.12 109.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.37 20.49 69.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 65.13 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.665 HG21 ' HB1' ' A' ' 74' ' ' ALA . 2.8 t . . . . . 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 72.24 109.309 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 110.3 -0.259 . . . . 62.02 110.3 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 50.33 111.041 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.52 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 74.1 111.029 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.523 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -119.51 25.27 10.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 74.01 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -39.84 -45.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 52.52 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -42.23 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 51.1 109.98 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.105 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.3 t90 -45.97 -56.38 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 75.2 108.002 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.23 -42.41 20.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.12 109.3 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.553 HG11 ' C ' ' A' ' 7' ' ' SER . 14.8 t -62.73 -39.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 71.45 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.36 68.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 64.24 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 18.2 mtt180 -85.96 -23.64 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.23 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tp -74.53 -45.94 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.11 109.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -67.54 -33.84 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 75.35 111.024 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -49.71 -27.69 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.43 109.572 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.7 mt -90.72 -35.86 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 54.53 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 108' ' ' LEU . 39.8 mt -62.69 -23.15 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.54 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.02 -12.75 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 52.3 109.333 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -99.87 -19.55 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.54 110.31 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.452 ' OE1' HD21 ' A' ' 26' ' ' LEU . 24.9 mm-40 -83.87 -18.58 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 51.51 110.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt 77.09 44.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 52.14 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 21.8 mt -112.23 -37.85 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 55.43 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.9 p -136.29 154.97 77.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 45.41 108.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.99 30.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 72.14 110.979 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.23 51.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.31 109.31 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.1 m -62.99 -53.49 53.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 51.32 110.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -52.03 -37.42 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 55.34 109.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -62.43 -30.24 71.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 62.5 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -81.86 -48.53 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.12 109.295 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.464 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 25.1 t -56.76 -37.48 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 71.31 109.284 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.86 81.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 64.42 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.3 m-85 -62.13 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.32 111.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -54.12 -63.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.53 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.14 -19.16 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 73.51 110.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.95 -30.66 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 54.34 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.646 HG22 HE22 ' A' ' 137' ' ' GLN . 49.1 t -73.53 -27.07 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 61.11 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.7 mmt180 -75.64 -67.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 73.04 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.43 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 41.31 110.411 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.652 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -84.42 -65.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 74.04 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.495 ' N ' HD23 ' A' ' 133' ' ' LEU . 12.9 t -37.46 -46.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 62.53 109.969 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -54.69 -59.15 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.51 110.016 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -80.65 5.38 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.03 110.322 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 125' ' ' LEU . 28.8 t0 45.22 38.02 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 61.31 109.241 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.433 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 16.5 t0 -40.65 153.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.13 109.321 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -74.42 -6.52 48.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.32 109.597 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.39 -0.01 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 73.34 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -49.66 -66.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 70.55 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.718 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.84 -32.35 40.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 53.41 111.0 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.96 -34.88 79.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 72.51 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.105 HD13 ' CE2' ' A' ' 94' ' ' TRP . 65.3 tp -71.92 -38.93 69.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 62.12 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.646 HE22 HG22 ' A' ' 122' ' ' VAL . 41.5 mm-40 -61.62 -18.39 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 61.32 110.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.19 -14.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.42 109.328 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.06 -53.98 4.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 73.13 110.272 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.533 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -60.85 -14.98 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 53.21 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.0 mtm180 -90.9 -62.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.01 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.31 -22.26 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 71.33 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? -84.35 -78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 50.25 110.313 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.26 -55.16 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 71.31 108.312 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.17 68.28 0.83 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 72.13 111.006 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.972 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.78 -169.94 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.003 -1.11 . . . . 70.25 108.003 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.71 61.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 74.11 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.972 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.3 tt -70.12 -37.0 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.52 109.328 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.28 -29.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 54.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . . . . . . 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.2 110.987 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.022 0 N-CA-C 110.964 -0.854 . . . . 74.04 110.964 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -75.03 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 71.4 110.967 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.52 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.0 t 179.95 175.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 45.25 109.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -67.28 -52.67 28.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 74.02 109.328 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -29.4 8.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 65.51 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -46.89 -44.49 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 53.25 110.061 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.95 -32.28 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 51.4 109.283 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.811 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -75.94 -32.76 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.35 110.986 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.34 -34.47 74.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 73.55 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.94 -29.67 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 72.32 109.331 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mt -58.41 -53.18 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 65.54 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.13 -5.24 52.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 64.55 110.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.62 17.96 19.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.731 . . . . 33.4 109.297 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.72 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.44 109.34 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.26 135.08 1.77 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 24.51 111.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' GLY . 42.0 tp60 -36.51 -64.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 73.32 110.312 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -38.6 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.22 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -49.12 -30.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 74.4 109.283 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.16 -65.02 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 75.12 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.55 ' CD2' ' HZ1' ' A' ' 27' ' ' LYS . 68.3 mt -42.74 -56.44 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.01 109.278 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.13 -59.2 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 72.1 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.986 HD21 ' OE1' ' A' ' 106' ' ' GLU . 10.4 mt -40.17 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 42.04 109.307 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.707 ' HE3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -46.22 -62.52 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.3 109.277 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HZ3' ' A' ' 27' ' ' LYS . 86.9 m-70 -41.51 -28.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 74.43 109.625 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.4 tttp -82.33 -53.99 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 70.34 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 40' ' ' GLN . 6.3 mp -56.54 -18.94 13.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 72.31 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.0 mmtt -35.75 -37.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 72.22 109.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.454 ' O ' HG22 ' A' ' 32' ' ' THR . 0.4 OUTLIER -109.76 112.86 58.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 51.4 110.356 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.06 41.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 72.14 111.018 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.1 mmm-85 -100.52 162.44 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.14 110.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.526 1.803 . . . . 51.32 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.99 29.18 9.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.142 . . . . 72.33 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.79 127.73 48.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 44.42 108.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CD ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.05 1.67 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 75.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 -26.84 7.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 63.32 111.002 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.789 ' O ' HD23 ' A' ' 30' ' ' LEU . 15.4 tt0 -79.3 -55.31 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 62.41 110.252 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.843 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.4 t0 -54.9 -37.63 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 62.21 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.77 -44.22 97.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.53 109.327 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -65.63 -34.11 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 71.3 109.273 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.3 t-160 -58.3 -22.25 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 75.32 109.558 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -90.59 -20.06 23.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.32 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 54.3 mtp -97.52 -7.82 30.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 HD23 ' A' ' 43' ' ' LEU . 19.8 t -92.08 -55.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.23 109.32 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.941 HD13 HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -40.1 -42.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.15 109.284 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.8 mt -53.01 -55.65 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.44 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.716 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 2.0 mmmp? -44.37 -27.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.44 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.941 HD12 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -85.8 -47.59 9.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 64.24 109.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.25 11.65 8.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 73.52 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.6 82.41 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 65.31 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.59 -19.04 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.43 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -38.44 -36.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 74.1 110.408 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.72 -44.38 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.21 110.321 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.42 -36.92 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 74.32 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -63.63 -48.12 78.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 63.45 110.327 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.29 -46.22 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.25 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -62.45 -46.66 87.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.1 110.018 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 70' ' ' ALA . 10.3 mt -57.56 -38.82 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.43 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 11.2 tt0 -71.24 -18.06 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 54.41 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -77.1 -2.31 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 41.21 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.843 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.7 mt -123.14 51.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 62.21 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 32.2 mtmt -62.14 -15.38 45.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 53.43 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -25.46 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 52.34 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.83 133.23 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 75.55 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -91.08 -2.1 57.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 74.42 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.872 HG22 ' HG2' ' A' ' 89' ' ' PRO . 73.8 t -84.51 -39.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 64.14 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -53.56 -56.88 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 61.42 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -53.51 -52.99 57.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 74.34 110.279 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 72' ' ' LEU . 1.3 tm? -63.01 -23.34 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 63.21 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.806 HG22 ' HZ3' ' A' ' 77' ' ' TRP . 5.8 t -92.53 -3.86 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 64.22 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.055 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.64 -37.72 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 62.33 109.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.451 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 4.2 ptt-85 -98.79 -6.25 29.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.1 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -89.49 -46.83 8.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 74.21 110.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.811 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.5 m-90 -106.03 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.1 108.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.055 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.18 -50.97 63.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.32 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 95.46 25.68 13.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 41.43 110.969 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.717 HG21 ' HB1' ' A' ' 74' ' ' ALA . 98.4 t . . . . . 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 52.5 109.292 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 . . . . . 0 N--CA 1.453 -0.317 0 N-CA-C 110.267 -0.272 . . . . 71.53 110.267 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.872 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 74.23 111.051 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 61.3 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.656 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.54 24.64 10.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 73.04 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -42.92 -43.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 74.32 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.5 t -103.05 -38.5 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 73.21 110.017 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.061 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -46.05 -57.21 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 71.54 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -49.51 -32.29 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.11 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' C ' ' A' ' 7' ' ' SER . 5.8 t -76.6 -32.31 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 65.21 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 73.05 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.563 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 9.2 mtt180 -75.13 -26.5 59.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.31 110.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.701 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.9 tt -73.65 -54.93 6.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.43 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m-85 -62.6 -23.07 66.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 61.23 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -65.04 -21.86 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.21 109.58 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -96.85 -26.13 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.52 109.298 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 43' ' ' LEU . 91.0 mt -70.65 -18.06 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.11 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . 0.838 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -83.72 -2.36 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 70.14 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -99.58 -16.85 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.02 110.261 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.986 ' OE1' HD21 ' A' ' 26' ' ' LEU . 1.5 pt-20 -106.94 -1.23 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 72.11 110.269 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt 70.43 30.22 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.42 109.326 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 18.9 mt -88.43 -27.93 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 34.23 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.488 ' SG ' HD13 ' A' ' 113' ' ' LEU . 4.5 t -160.3 138.54 7.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 60.03 108.278 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . 0.419 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -74.98 145.33 31.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 60.14 111.023 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' SG ' ' A' ' 144' ' ' CYS . . . -47.63 -24.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 54.32 109.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 110' ' ' PRO . 1.2 m -37.81 -45.97 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 54.31 110.044 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.488 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.9 mp -76.33 -52.27 10.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.22 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.838 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.3 ttm180 -38.14 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 73.04 110.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.476 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 0.5 OUTLIER -75.17 -63.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.2 109.311 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.97 -40.94 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 61.01 109.281 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -61.37 -57.26 13.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.21 109.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.891 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.1 m-85 -48.52 -40.13 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.42 110.972 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.451 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.6 mt-30 -57.74 -45.95 85.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 65.23 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.73 -10.53 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 53.53 110.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.572 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -96.97 -29.91 13.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.1 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.49 -30.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 63.44 109.338 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -33.05 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.33 110.343 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -77.8 -36.73 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 73.01 110.373 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -80.12 -34.56 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 72.02 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.7 t -70.32 -40.72 74.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 52.32 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.4 p -60.73 -43.5 97.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 73.23 110.01 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.5 ptt85 -95.61 1.81 53.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.11 110.278 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.2 t0 44.17 48.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.53 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.49 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.1 t0 -50.08 177.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.13 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -93.79 -0.37 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.43 109.519 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.49 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -116.04 -1.43 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 75.23 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.4 tm? -48.86 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 61.35 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.771 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.84 -33.5 13.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 74.55 111.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -33.32 73.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 74.52 110.302 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 94' ' ' TRP . 58.9 tp -72.31 -41.09 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 62.42 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.785 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.8 mm-40 -63.18 -14.59 50.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 71.31 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.58 -4.35 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 73.11 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 7.6 tt0 -99.4 -45.49 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 54.34 110.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.21 -13.01 62.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.23 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 145' ' ' GLY . 48.5 mtm180 -94.28 -60.15 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.34 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -21.85 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.22 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.9 mmp_? -84.99 -77.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.21 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.624 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -65.87 -55.54 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 63.14 108.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.27 67.73 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 73.02 111.026 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.968 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -170.7 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.003 -1.11 . . . . 74.34 108.003 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.39 61.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.41 109.335 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.968 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -70.2 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.1 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.785 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -80.63 2.51 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 44.33 109.282 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 32.3 110.987 -179.999 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.98 0 N-CA-C 111.015 -0.834 . . . . 52.01 111.015 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.541 1.811 . . . . 65.23 110.986 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -179.94 172.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.04 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.668 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -67.58 -52.13 28.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.12 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.03 -26.33 10.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 63.34 111.012 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.439 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 20.3 m -49.8 -45.71 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 75.25 110.022 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.03 -31.85 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 64.32 109.263 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -76.28 -31.72 58.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 61.22 111.033 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.96 -40.34 72.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.33 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.885 HG21 ' SG ' ' A' ' 109' ' ' CYS . 10.8 mt -69.23 -19.27 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 72.05 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.833 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.48 -56.27 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 54.14 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE3' ' A' ' 50' ' ' LYS . . . -66.7 -8.81 49.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 75.22 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.91 16.45 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 73.42 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.07 -77.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 71.3 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.792 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.94 137.36 2.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 70.4 111.014 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -42.9 -48.27 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 73.25 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.2 -28.35 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 72.3 109.33 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.68 -26.37 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 53.43 109.256 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.39 -55.49 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 41.42 109.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 77.4 mt -47.64 -41.68 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 72.15 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -62.83 -75.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 75.35 111.005 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 50.8 mt -39.09 -38.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 70.41 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -54.42 -55.98 23.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.32 109.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 90.2 m-70 -64.45 -12.15 40.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 73.34 109.547 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.79 -39.44 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.14 109.343 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.816 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -69.43 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.53 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 23.8 mmtt -39.06 -31.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 73.21 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.8 m -114.69 90.54 22.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 72.32 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.44 42.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 72.02 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -95.47 165.27 17.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 73.21 110.309 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.56 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 73.24 111.017 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.63 6.05 33.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 65.32 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.62 124.69 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.257 -1.016 . . . . 64.14 108.257 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -122.0 -4.71 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 75.22 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.94 -33.6 3.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 55.41 111.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HG2' HD22 ' A' ' 30' ' ' LEU . 1.1 tt0 -72.96 -62.23 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 64.34 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.7 t0 -54.57 -41.76 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 61.33 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.85 -55.49 29.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 54.53 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD11 ' A' ' 15' ' ' LEU . 4.0 tp -56.22 -31.57 63.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 70.31 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.7 t-160 -56.94 -28.28 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 73.43 109.595 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -84.93 -23.02 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 61.42 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.607 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 48.6 mtp -91.19 -8.61 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.44 110.977 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.6 t -93.88 -53.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.23 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.1 mm? -40.22 -45.43 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.42 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.4 mt -51.86 -57.86 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 54.15 109.319 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' CA ' ' A' ' 16' ' ' GLY . 21.7 mmtt -42.81 -28.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 73.3 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.671 HD23 ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -84.88 -45.56 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 53.24 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.94 18.25 6.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 44.24 110.995 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.654 HE21 HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -131.76 81.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 71.4 110.293 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -71.8 -18.91 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 63.4 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.61 -38.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 63.33 110.38 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.2 mm-40 -82.48 -47.77 11.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 73.33 110.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -42.38 -40.14 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 73.01 109.317 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -62.07 -47.53 84.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 72.4 110.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -54.73 -59.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.25 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -51.52 -45.78 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 73.45 110.053 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.4 mt -55.25 -39.53 69.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 51.42 109.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.85 -18.18 59.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 54.24 110.275 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.87 -4.37 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 52.55 109.294 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -122.62 54.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.43 109.31 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -55.06 -22.54 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 74.25 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.71 -59.31 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 43.32 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.24 120.31 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.23 109.311 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . . . -81.58 -1.54 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 61.31 109.283 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' ASP . 2.9 t -93.96 -7.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 60.1 109.327 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.708 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -88.56 -19.33 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.13 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.448 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -89.27 -30.63 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 63.43 110.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.695 HD23 ' NH2' ' A' ' 75' ' ' ARG . 1.9 tm? -82.88 -37.41 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 61.42 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.766 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.8 t -70.66 -4.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.43 109.299 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB1' HG21 ' A' ' 80' ' ' VAL . . . -79.83 -63.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 63.14 109.304 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.695 ' NH2' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -78.41 -7.5 57.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 64.22 110.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp60 -84.97 -43.97 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 62.2 110.282 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.793 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.6 m-90 -117.08 -59.55 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 74.14 108.04 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.26 -24.94 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 62.31 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 67.88 26.43 73.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 53.43 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.881 HG21 ' HB1' ' A' ' 74' ' ' ALA . 97.1 t . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 75.23 109.359 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HB3' HG11 ' A' ' 92' ' ' VAL . 7.0 mt-10 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.289 -0.263 . . . . 75.52 110.289 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.99 165.4 31.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 50.35 110.999 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.09 7.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 60.23 110.994 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.636 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -116.94 25.71 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 52.13 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -48.71 -79.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 73.33 109.306 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.488 ' H ' HG23 ' A' ' 92' ' ' VAL . 47.3 m -65.66 -49.28 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 53.52 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.6 t90 -40.63 -65.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.22 107.973 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.47 -56.67 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 73.43 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 92' ' ' VAL . 26.3 t -46.05 -39.53 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.068 . . . . 72.34 109.314 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -70.87 -36.95 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 63.05 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.644 HH21 ' CD ' ' A' ' 139' ' ' GLU . 3.1 mtt180 -75.31 -19.22 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.31 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.742 HD11 HD13 ' A' ' 43' ' ' LEU . 1.7 tp -83.62 -41.29 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 74.02 109.354 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.905 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -72.07 -37.23 69.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 71.51 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . 0.486 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 5.1 t60 -47.12 -25.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 70.53 109.578 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 5.7 mt -92.4 -34.17 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 64.35 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.502 HD11 ' HB1' ' A' ' 11' ' ' ALA . 97.1 mt -64.96 -13.55 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.55 109.293 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.4 -11.83 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 65.33 109.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.44 110.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.89 -18.14 29.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 75.14 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 77.5 30.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.51 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.9 mt -99.94 -34.03 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.32 109.314 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.885 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.4 m -137.32 149.38 65.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.42 108.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 72.24 110.976 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . 0.529 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.24 -6.14 46.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.33 109.276 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 78.3 p -65.24 -44.58 87.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.03 109.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.716 HD23 ' HE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -64.86 -36.93 85.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 75.31 109.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.1 ttp180 -53.45 -29.58 36.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.22 110.31 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 7.6 m-20 -81.13 -67.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 50.52 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -40.79 -37.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 74.42 109.322 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.98 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 64.34 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 m-85 -53.15 -42.86 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.2 110.965 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -53.78 -54.45 38.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 71.31 110.26 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.32 -18.61 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 64.34 110.269 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.519 ' O ' HD23 ' A' ' 125' ' ' LEU . . . -100.06 -23.67 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.53 109.266 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.674 HG13 ' OE1' ' A' ' 137' ' ' GLN . 17.7 t -80.65 -24.65 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.35 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -90.08 -28.24 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 61.3 110.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.517 HG23 HD22 ' A' ' 125' ' ' LEU . 2.0 t -76.97 -36.74 56.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.32 110.433 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 121' ' ' ALA . 2.0 mm? -72.44 -38.17 68.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 70.43 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.3 m -75.17 -51.06 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 70.23 110.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 t -48.32 -37.27 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.34 109.979 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.531 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -97.4 -18.44 19.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 73.21 110.295 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.1 m-20 59.76 61.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 72.15 109.279 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.531 ' CG ' HH21 ' A' ' 128' ' ' ARG . 33.5 t0 -75.48 178.14 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 61.32 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -88.03 -8.42 55.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 65.23 109.621 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.3 OUTLIER -108.96 9.01 26.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.33 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -60.67 -67.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 62.4 109.287 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.87 -19.83 7.41 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 60.31 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.9 -31.04 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 73.34 110.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.7 tp -74.36 -37.64 63.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.41 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.674 ' OE1' HG13 ' A' ' 122' ' ' VAL . 44.8 mm-40 -63.17 -19.66 64.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 74.45 110.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.42 -2.99 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.05 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.644 ' CD ' HH21 ' A' ' 98' ' ' ARG . 5.8 tt0 -97.97 -46.21 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 63.1 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -69.41 -15.65 63.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 71.22 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 16.2 mtm180 -95.5 -61.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.4 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -49.79 -23.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 62.34 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.6 mmp_? -85.94 -79.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 72.13 110.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.88 -56.25 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 64.23 108.308 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.92 70.21 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 74.11 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.957 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.6 -170.68 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 75.54 107.984 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.0 62.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 74.35 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.957 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.4 tt -74.84 -28.03 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 52.02 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -62.33 -16.48 54.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 64.32 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 70.21 111.01 179.978 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 110.955 -0.858 . . . . 74.44 110.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.678 ' HD3' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.0 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 64.21 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 171.43 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.25 110.043 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.858 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER 175.99 -57.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 61.34 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -29.68 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 72.24 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -48.8 -47.78 41.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 62.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . . . -61.72 -40.0 93.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.42 109.323 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 64.5 110.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -63.84 -45.61 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.34 109.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . 0.844 HG21 ' SG ' ' A' ' 109' ' ' CYS . 21.3 mt -68.24 -20.09 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.02 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 46' ' ' MET . 2.7 tp -75.33 -38.47 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.05 109.273 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' CE ' ' A' ' 50' ' ' LYS . . . -84.14 8.39 67.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 73.42 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.62 12.64 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 74.35 109.306 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.785 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.55 -77.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 61.23 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 177.42 137.56 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 62.44 111.019 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . 33.2 tp60 -36.38 -64.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 62.51 110.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LEU . 3.3 t70 -62.1 -40.22 95.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.52 109.245 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.785 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -41.55 -31.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 61.43 109.279 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.688 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.92 -45.62 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 72.34 109.344 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.7 mm? -55.93 -53.46 56.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 54.43 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 1.3 t80 -50.9 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 73.52 111.018 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 87.3 mt -47.46 -37.42 11.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 55.53 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.581 ' HZ2' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.37 -43.98 92.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.1 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 93.3 m-70 -79.27 -7.0 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 72.05 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -87.36 -51.55 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 74.03 109.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.679 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.2 mt -52.57 -21.3 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 44.44 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 mmtp -37.66 -33.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 74.14 109.284 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.8 m -114.08 91.78 24.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 22.42 110.396 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.86 36.3 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 64.23 110.959 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -99.08 166.07 13.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 65.41 110.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.75 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.479 1.778 . . . . 64.11 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.87 11.53 39.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 72.51 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.0 p -69.84 127.07 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.26 -1.015 . . . . 63.2 108.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -125.3 -0.57 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 70.33 110.335 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.59 -29.01 4.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 31.13 110.992 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.494 ' CG ' HD22 ' A' ' 30' ' ' LEU . 3.0 tt0 -78.82 -64.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 63.45 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.764 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.7 t0 -47.14 -42.51 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 65.24 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 69' ' ' VAL . 15.4 tp -62.47 -49.73 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 70.11 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.8 tp -59.2 -30.45 68.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 62.15 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.596 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.3 t-160 -65.27 -19.72 66.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 63.25 109.587 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -90.7 -20.72 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 62.12 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 99' ' ' LEU . 66.7 mtp -94.02 -18.99 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 72.11 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 43' ' ' LEU . 35.5 t -88.84 -45.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.1 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.622 ' HA ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -46.5 -35.14 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 70.34 109.285 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.2 mp -67.98 -40.84 83.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 72.42 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HB3' ' HZ2' ' A' ' 50' ' ' LYS . 1.8 mmmp? -51.75 -22.04 3.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.01 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -95.59 -50.87 4.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 65.13 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.27 30.35 1.92 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 73.41 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.545 ' NE2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -135.17 59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 73.41 110.308 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -51.34 -21.35 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 74.53 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.04 -31.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 53.33 110.409 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -89.64 -49.97 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 61.25 110.348 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -40.81 -37.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 73.13 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -64.99 -50.27 66.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 75.45 110.292 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.96 -42.02 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 74.21 109.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.23 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 74.43 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 74' ' ' ALA . 5.1 mt -53.83 -37.43 63.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 60.42 109.355 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.92 -32.45 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 75.12 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -8.65 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 63.44 109.333 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.43 45.76 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.03 109.301 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -15.27 29.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 72.55 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.0 -21.97 27.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 75.12 109.339 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.71 104.8 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 54.42 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -60.94 -15.03 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.13 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.686 HG21 ' O ' ' A' ' 91' ' ' ASP . 0.9 OUTLIER -76.03 -36.9 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 61.45 109.279 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.582 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -63.09 -70.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.12 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -48.72 -22.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.14 110.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.801 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -86.76 -33.26 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 71.41 109.251 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.902 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 9.9 t -78.67 -6.47 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.32 109.282 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.107 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -84.9 -36.35 21.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 54.03 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.466 ' CZ ' ' HA ' ' A' ' 72' ' ' LEU . 7.6 ptt-85 -98.7 -3.63 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 75.2 110.244 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.554 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 5.2 tp-100 -93.04 -45.53 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 53.34 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.902 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.8 m-90 -106.78 -62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.23 108.004 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -44.58 -45.1 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.11 109.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 96.5 19.25 28.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 43.43 110.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 74' ' ' ALA . 88.1 t . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 65.23 109.304 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.501 ' HG2' HG21 ' A' ' 92' ' ' VAL . 20.6 mt-10 . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.311 -0.255 . . . . 74.13 110.311 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 170.71 19.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 62.23 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.57 11.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 64.22 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.686 ' O ' HG21 ' A' ' 69' ' ' VAL . 3.8 m-20 -118.64 27.94 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.24 109.254 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.778 HG22 HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.94 -40.88 84.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 73.02 109.291 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 1.4 m -95.16 -24.51 16.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 73.02 110.025 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 1.103 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.9 t90 -74.62 -70.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 72.33 108.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -39.76 -55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -56.12 -50.66 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 74.44 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 93' ' ' SER . . . -51.55 -33.1 30.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.45 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 31.4 mtt180 -81.56 -23.65 37.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 72.12 110.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 46' ' ' MET . 1.3 tt -73.15 -43.62 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.53 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 6.9 m-85 -69.57 -14.94 63.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 73.15 110.966 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.82 -22.8 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 63.23 109.592 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -95.15 -32.95 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.1 109.298 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.713 HD13 ' SG ' ' A' ' 109' ' ' CYS . 12.5 mt -61.77 -28.84 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 73.41 109.314 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.11 -9.96 58.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 62.01 109.254 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -99.78 -20.68 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.42 110.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -89.05 -17.22 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.14 110.332 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp 76.02 30.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 62.32 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.54 -37.08 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.54 109.26 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . 0.844 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -136.01 150.88 72.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 65.3 108.302 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 51.42 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.04 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.4 109.286 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.4 m -53.75 -47.12 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.41 110.004 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' A' ' 6' ' ' PRO . 2.0 mm? -62.42 -41.84 99.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.44 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.0 ttp180 -56.31 -33.81 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.51 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.519 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.8 OUTLIER -81.78 -66.03 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 61.11 109.268 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 112' ' ' SER . 38.6 t -40.2 -39.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.13 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -64.61 -57.86 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 60.3 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.4 m-85 -49.41 -46.57 47.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.41 111.043 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 122' ' ' VAL . 81.7 mt-30 -49.57 -66.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 71.3 110.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.71 -24.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.21 110.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -78.44 -46.43 19.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.41 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.5 m -61.52 -24.44 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 51.31 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 125' ' ' LEU . 30.6 mmt180 -75.89 -70.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 70.35 110.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -43.43 -27.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.11 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.566 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 6.2 mt -86.07 -46.54 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 61.12 109.267 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.5 t -55.19 -51.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.42 110.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -54.01 42.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.23 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.439 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.01 4.75 16.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 74.31 110.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 m-20 40.25 36.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 73.13 109.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.439 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 12.5 t0 -40.16 157.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 73.13 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.89 3.3 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 61.44 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.87 -7.79 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.54 110.278 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -45.19 -69.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 72.04 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.43 -34.25 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 65.12 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.71 -30.6 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 71.32 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 1.103 HD13 ' CE2' ' A' ' 94' ' ' TRP . 39.9 tp -74.7 -40.39 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.45 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.812 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 45.9 mm-40 -63.01 -12.11 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 74.12 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -105.75 -21.25 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.52 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.05 -61.2 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 63.53 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -51.19 -21.78 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.22 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 35.0 mtm180 -85.35 -59.24 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.43 110.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.658 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.9 OUTLIER -50.01 -22.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.43 109.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.658 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.7 mmp_? -83.66 -79.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.41 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -65.0 -55.24 20.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.22 108.254 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.57 62.5 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 70.31 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.892 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.03 -169.43 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 73.23 108.022 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.49 59.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 71.12 109.288 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.892 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.7 tt -61.99 -34.46 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 74.43 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.812 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.19 -21.98 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.02 109.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 74.33 110.956 179.971 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 N-CA-C 111.008 -0.837 . . . . 63.03 111.008 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.94 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 61.24 111.034 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -170.14 179.51 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 43.15 109.967 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.596 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.78 -52.42 17.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 73.43 109.285 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 -32.94 4.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 74.24 111.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' SER . . . . . 0.422 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 73.8 m -44.15 -48.44 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 70.05 110.001 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.41 -41.14 88.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.51 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -63.54 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.3 110.956 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.71 -50.0 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.45 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.11 -18.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.32 109.329 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 46' ' ' MET . 1.9 tp -75.78 -33.59 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 72.54 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.71 8.44 75.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 72.52 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.5 17.15 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 60.13 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.1 -75.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 74.23 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 174.29 139.36 2.95 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 73.24 111.012 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' GLY . 12.7 tp60 -36.69 -64.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 72.4 110.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -58.7 -41.33 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.04 109.298 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptt -44.19 -33.28 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 75.53 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.19 -59.72 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.02 109.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.575 ' CD2' ' HZ3' ' A' ' 27' ' ' LYS . 48.5 mt -46.54 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 63.34 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 29' ' ' LYS . 5.8 t80 -35.91 -67.44 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 62.45 110.999 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' LYS . 15.3 mt -40.76 -56.41 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 71.5 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 51' ' ' LEU . 3.0 ttpt -46.44 -64.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.24 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 54.1 m-70 -63.51 -9.54 13.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 72.51 109.623 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -91.18 -26.68 18.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 71.54 109.32 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LEU . . . . . 0.661 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.3 mt -90.42 -20.9 22.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 51.41 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 18.4 mmtt -36.43 -33.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 61.21 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 32' ' ' THR . 0.3 OUTLIER -105.64 107.67 59.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 72.45 110.35 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 135.79 19.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 64.53 111.022 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.0 165.16 33.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 54.23 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 63.45 110.986 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.44 12.77 37.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 72.03 111.029 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.92 115.2 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 65.53 108.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -9.65 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.22 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.87 -39.5 1.85 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.473 1.108 . . . . 44.44 110.963 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.641 ' CG ' HD22 ' A' ' 30' ' ' LEU . 9.4 tt0 -61.68 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 74.35 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASP . . . . . 0.858 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.2 t0 -48.13 -40.29 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.03 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 73' ' ' VAL . 18.7 tp -60.78 -52.27 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 72.42 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.977 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.4 tp -58.5 -27.96 64.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.21 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' HIS . . . . . 0.624 ' O ' HD23 ' A' ' 48' ' ' LEU . 5.5 t-160 -62.09 -24.13 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.13 109.581 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.27 -18.3 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 72.5 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' MET . . . . . 0.702 ' O ' HD21 ' A' ' 15' ' ' LEU . 26.6 mtp -98.71 -12.77 20.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 72.33 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 43' ' ' LEU . 85.0 t -86.7 -57.84 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 63.35 109.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.7 mm? -41.27 -43.96 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 73.32 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 4.9 mt -53.27 -48.56 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.44 109.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.643 ' HZ3' ' HA ' ' A' ' 50' ' ' LYS . 1.7 mmmp? -48.1 -24.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 52.03 109.334 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.619 HD12 HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -96.46 -32.29 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 74.1 109.339 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 102.62 8.27 43.44 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.164 . . . . 71.24 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 51' ' ' LEU . 1.5 pt20 -111.31 70.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 74.34 110.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.3 pt-20 -66.33 -18.55 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.3 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.25 -34.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 74.53 110.394 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 -43.47 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 75.23 110.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -46.17 -36.67 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 62.13 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -66.4 -51.39 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 72.5 110.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.58 -52.26 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 64.12 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -48.91 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.3 110.056 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 18.0 mt -56.31 -40.23 74.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 71.21 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.72 -14.12 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 65.24 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.8 10.66 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 65.54 109.32 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.858 HD21 ' CB ' ' A' ' 41' ' ' ASP . 13.4 mt -122.94 52.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 72.41 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -55.55 -19.74 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.4 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -54.88 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 43.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . 0.76 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -68.69 128.92 38.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.2 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.37 -13.14 35.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 63.22 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.8 HG22 ' HG2' ' A' ' 89' ' ' PRO . 33.3 t -76.03 -13.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.03 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.17 -54.0 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 55.41 109.294 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.94 -14.06 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.43 110.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.829 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -99.2 -30.84 12.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.13 109.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.818 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 15.1 t -82.35 -6.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 73.25 109.274 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 1.026 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.03 -36.07 19.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 75.4 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.75 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.3 ptt-85 -98.63 -6.4 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.02 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.2 tp-100 -89.99 -44.59 9.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 71.42 110.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.818 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.0 m-90 -107.58 -58.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 62.34 108.024 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -55.79 -45.36 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 41.01 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 78.34 40.95 18.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 74.13 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' VAL . . . . . 0.484 HG13 ' O ' ' A' ' 74' ' ' ALA . 16.3 m . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 73.11 109.301 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 . . . . . 0 N--CA 1.453 -0.289 0 N-CA-C 110.306 -0.257 . . . . 71.31 110.306 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PRO . . . . . 0.8 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.01 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 54.32 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.46 19.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 63.51 110.986 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.771 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -119.25 24.53 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 71.5 109.31 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.19 -40.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 41.32 109.291 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' VAL . 3.2 m -106.45 -40.83 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 72.53 109.994 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CZ3' HD21 ' A' ' 125' ' ' LEU . 3.3 t90 -43.06 -54.73 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 73.05 108.017 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 69' ' ' VAL . . . -52.6 -41.04 63.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 75.13 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' SER . 21.6 t -62.96 -35.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 70.45 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' ALA . . . . . 0.531 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -73.1 -29.84 63.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.34 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 15.9 mtt180 -86.4 -18.21 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 73.3 110.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -83.95 -46.44 12.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 65.44 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.979 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -71.02 -7.06 43.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.33 110.987 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -79.51 -17.06 54.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 74.04 109.581 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 40' ' ' GLN . 1.5 mt -97.11 -36.61 10.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 70.44 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 108' ' ' LEU . 34.5 mt -62.16 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.45 109.284 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.23 -10.71 60.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.12 109.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.58 -19.65 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.43 110.339 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 106' ' ' GLU . 0.7 OUTLIER -90.23 -17.22 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 71.53 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 77.37 54.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 71.14 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 103' ' ' LEU . 88.7 mt -117.87 -39.57 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.1 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.76 155.8 80.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.04 108.338 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.12 42.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 73.35 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -14.75 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.32 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.1 m -60.79 -46.04 92.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 74.23 109.991 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.92 -43.46 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 71.31 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.469 ' CD ' ' SG ' ' A' ' 144' ' ' CYS . 3.7 ttp180 -50.67 -34.91 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.23 110.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.463 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 4.2 m-20 -74.33 -68.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 71.32 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HD2' ' A' ' 6' ' ' PRO . 62.6 t -40.05 -35.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.41 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.73 -57.32 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.34 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' TYR . . . . . 0.708 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 5.7 m-85 -51.37 -48.15 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.15 110.974 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 122' ' ' VAL . 78.7 mt-30 -45.31 -63.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 63.34 110.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -45.99 -25.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 73.2 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ALA . . . . . 0.83 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -76.72 -46.77 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 74.53 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' VAL . . . . . 0.88 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -60.25 -24.39 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.22 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' LEU . 25.0 mmt180 -78.04 -69.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 74.22 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -39.92 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 62.24 110.389 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LEU . . . . . 0.671 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -87.59 -58.91 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 64.24 109.318 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.2 t -41.22 -43.28 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 71.3 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 t -57.64 -57.51 12.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 73.1 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.95 5.88 14.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 75.04 110.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.1 m-20 43.09 36.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.14 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ASP . . . . . 0.406 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 11.7 t0 -41.47 153.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.02 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -76.75 -3.67 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.3 109.593 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.53 -1.25 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.4 110.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.65 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -52.83 -69.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 73.14 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . 0.65 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.62 -34.48 10.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 41.11 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.55 -35.3 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 73.42 110.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' LEU . . . . . 0.88 HD22 HG12 ' A' ' 122' ' ' VAL . 5.4 tt -71.47 -40.04 70.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 52.13 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' GLN . . . . . 0.809 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 48.2 mm-40 -63.14 -11.11 17.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 64.33 110.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' ASP . . . . . 0.463 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 31.0 t0 -107.9 -7.43 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 70.43 109.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 141' ' ' ARG . 26.5 tt0 -100.51 -51.85 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 70.12 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' ALA . . . . . 0.872 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -47.29 -24.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.34 109.253 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.4 ptp180 -94.86 -44.52 7.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 71.1 110.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' ASN . . . . . 0.518 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 25.8 t-20 -65.36 -9.69 26.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.12 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' ARG . . . . . 0.503 ' CB ' ' OH ' ' A' ' 118' ' ' TYR . 15.2 mmp_? -103.92 -41.12 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 63.11 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -103.27 -56.48 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 72.54 108.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 107.58 70.27 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.41 1.069 . . . . 73.14 110.986 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.5 OUTLIER -156.67 -172.69 4.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 75.02 108.006 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.29 63.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.31 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' ILE . . . . . 0.872 HG21 ' HB3' ' A' ' 140' ' ' ALA . 5.3 tt -64.41 -23.49 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 71.53 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -73.78 -4.11 32.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 62.4 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.13 110.98 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 6.6 t-80 . . . . . 0 N--CA 1.453 -0.286 0 N-CA-C 109.6 -0.518 . . . . 75.14 109.6 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.2 mpp? -93.45 67.16 3.99 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 72.32 111.028 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -40.59 -55.7 2.27 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 75.03 109.315 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 2.3 p -171.79 123.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 73.21 108.306 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 m -126.41 149.29 49.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.125 . . . . 73.12 110.383 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -114.3 -93.82 1.99 Allowed Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.518 1.136 . . . . 64.25 110.984 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.543 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.1 Cg_endo -74.95 -167.38 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.536 1.808 . . . . 62.45 110.998 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.404 ' OG ' ' C ' ' A' ' 6' ' ' PRO . 0.9 OUTLIER -174.52 168.49 3.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.43 109.999 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.46 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -63.21 -54.79 42.14 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.547 1.155 . . . . 73.14 109.305 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.46 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.11 16.22 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.498 1.788 . . . . 60.23 111.037 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 35.0 t -55.53 -42.52 74.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.498 1.124 . . . . 71.34 110.007 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.955 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.61 -24.35 65.47 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 63.24 109.265 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.779 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.84 -35.91 64.85 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.04 111.015 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -68.76 -34.41 75.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.458 1.099 . . . . 64.01 109.286 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.564 HD13 ' SG ' ' A' ' 109' ' ' CYS . 40.6 mt -71.48 -21.93 21.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.463 1.102 . . . . 64.13 109.278 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.93 HD22 HG22 ' A' ' 47' ' ' VAL . 3.0 mt -71.07 -59.43 2.78 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 52.42 109.324 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -69.31 -6.43 53.87 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.48 1.112 . . . . 61.12 110.983 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.34 6.38 44.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.759 . . . . 54.34 109.295 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -90.76 -64.65 1.1 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 60.22 109.328 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.73 136.0 1.93 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.493 1.121 . . . . 65.12 111.003 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 19' ' ' GLY . 31.0 tp60 -35.88 -67.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.492 0.76 . . . . 72.43 110.248 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -55.97 -38.0 69.8 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.01 109.327 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.5 tptt -48.53 -31.15 6.06 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.491 1.119 . . . . 71.54 109.349 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.65 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -72.59 -50.0 28.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 54.41 109.299 179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.0 mt -54.62 -46.43 73.88 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 64.34 109.268 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -55.64 -75.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.501 1.126 . . . . 75.33 111.027 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 29.2 mt -40.79 -56.14 2.26 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.487 1.117 . . . . 73.5 109.276 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.512 ' CE ' HD11 ' A' ' 51' ' ' LEU . 2.3 ttmt -43.6 -63.18 0.88 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 75.23 109.273 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.575 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 88.1 m-70 -52.58 -27.24 16.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 74.31 109.59 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.9 tttp -79.49 -28.79 41.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.121 . . . . 72.23 109.304 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.827 HD12 ' HA ' ' A' ' 44' ' ' HIS . 4.1 mt -78.34 -25.46 46.44 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.518 1.136 . . . . 60.41 109.307 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.4 mmtt -39.85 -33.29 0.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.519 1.137 . . . . 63.11 109.326 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.448 ' O ' HG22 ' A' ' 32' ' ' THR . 1.1 m -113.66 94.72 33.93 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.135 . . . . 75.21 110.366 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 158.89 42.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.515 1.797 . . . . 62.21 110.995 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.459 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -97.65 158.73 32.53 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 74.12 110.282 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.98 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.495 1.787 . . . . 75.43 110.99 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 109.73 9.87 24.05 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.527 1.142 . . . . 73.51 111.021 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -88.48 127.12 35.52 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 108.304 -0.998 . . . . 73.23 108.304 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.26 0.44 6.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 61.15 110.293 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.64 -28.79 6.16 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.513 1.133 . . . . 75.34 111.0 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.658 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -79.2 -63.31 1.45 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 0.77 . . . . 75.22 110.338 179.947 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.891 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.3 t0 -44.66 -39.71 5.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.494 1.121 . . . . 71.14 109.28 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.749 HD11 HG21 ' A' ' 73' ' ' VAL . 26.9 tp -66.23 -47.69 72.99 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.13 109.281 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.952 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.3 tp -61.06 -28.7 69.26 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 64.33 109.257 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.827 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.1 t-160 -57.79 -46.37 84.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 54.03 109.593 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 57' ' ' ALA . . . -71.58 -32.97 68.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 71.2 109.291 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.494 ' HE3' ' CD2' ' A' ' 12' ' ' PHE . 81.2 mtp -74.89 -12.93 60.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.494 1.121 . . . . 64.42 110.993 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.952 HG23 ' O ' ' A' ' 43' ' ' LEU . 75.2 t -95.25 -30.13 4.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.528 1.143 . . . . 74.31 109.263 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.515 HD12 ' O ' ' A' ' 53' ' ' GLN . 1.2 mm? -56.52 -51.37 68.78 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 73.34 109.313 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.749 HD22 ' O ' ' A' ' 45' ' ' ALA . 1.4 mm? -50.38 -52.36 37.93 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.513 1.133 . . . . 62.31 109.27 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.433 ' CB ' ' HG ' ' A' ' 23' ' ' LEU . 7.1 mmmt -40.29 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 63.42 109.33 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.65 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.53 -44.06 9.31 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.46 1.1 . . . . 73.51 109.264 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.435 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.52 13.87 7.86 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.5 1.125 . . . . 41.2 111.001 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.526 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.1 pt20 -121.91 84.02 2.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 0.762 . . . . 64.14 110.318 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.432 ' O ' ' N ' ' A' ' 56' ' ' GLU . 2.1 pt-20 -76.47 -19.92 57.53 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.536 1.148 . . . . 50.52 110.314 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.87 -30.21 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.13 . . . . 73.34 110.389 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.432 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.8 OUTLIER -90.07 -45.77 8.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 64.02 110.281 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.793 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -45.12 -37.85 4.65 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.159 . . . . 65.13 109.291 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.01 -44.84 91.37 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 75.45 110.343 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -64.23 -56.14 18.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.494 1.121 . . . . 63.21 109.308 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.56 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.9 OUTLIER -50.5 -53.02 33.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 73.15 110.001 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.764 HD22 ' O ' ' A' ' 70' ' ' ALA . 6.1 mt -54.21 -48.65 70.79 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.545 1.153 . . . . 34.45 109.299 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -63.08 -12.75 28.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 74.11 110.283 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.56 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.56 13.62 11.67 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.456 1.097 . . . . 73.12 109.324 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.891 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.6 mt -129.49 47.74 2.45 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.494 1.121 . . . . 71.41 109.299 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 20.4 mmmt -47.65 -34.31 7.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.48 1.112 . . . . 72.02 109.303 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -67.58 -57.22 6.84 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 34.34 109.258 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.848 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -69.42 122.28 18.65 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.12 . . . . 74.34 109.297 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.472 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.4 -12.87 44.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 61.22 109.299 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.823 HG11 ' HB3' ' A' ' 95' ' ' ALA . 51.3 t -76.51 -17.84 14.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.135 . . . . 52.13 109.277 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.764 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -82.51 -41.72 19.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.456 1.097 . . . . 61.11 109.282 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 5.7 mtm-85 -68.24 -18.81 64.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 75.12 110.31 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.921 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -93.72 -23.39 18.23 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 75.5 109.336 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.849 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -82.19 -6.3 9.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.471 1.107 . . . . 72.51 109.253 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.072 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.26 -36.22 24.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 61.54 109.33 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.921 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt-85 -98.8 -5.52 31.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 71.54 110.282 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.9 tp60 -89.09 -45.4 9.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 73.41 110.365 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.849 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 25.1 m-90 -109.51 -61.31 1.65 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.22 108.006 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.072 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.3 -24.86 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 73.2 109.285 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.427 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 74.32 19.21 79.88 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.507 1.129 . . . . 75.41 110.983 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.531 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.6 t -42.41 165.19 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.49 0.759 . . . . 64.35 109.319 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 6.5 t0 -80.83 45.7 0.83 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 1.123 . . . . 61.44 109.293 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.468 ' C ' ' O ' ' A' ' 81' ' ' ASP . 94.0 p 33.59 37.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 75.3 109.971 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.46 ' N ' ' O ' ' A' ' 81' ' ' ASP . 9.8 t -40.24 -27.62 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.544 1.153 . . . . 74.1 110.372 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.444 ' N ' ' C ' ' A' ' 82' ' ' SER . 3.2 mt-10 -84.51 -162.59 0.69 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 72.51 110.282 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.49 158.15 34.66 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.518 1.136 . . . . 54.55 109.297 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 79.95 2.55 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.477 1.777 . . . . 65.11 111.003 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -155.94 127.98 7.52 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 73.1 110.314 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 8.5 mt-10 -70.24 144.99 92.99 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 75.14 110.32 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.579 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.98 170.48 20.32 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 74.23 110.975 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -24.1 13.16 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.514 1.797 . . . . 72.44 110.964 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.582 ' OD1' ' CE3' ' A' ' 94' ' ' TRP . 53.0 m-20 -101.08 26.21 7.28 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.491 1.12 . . . . 71.31 109.298 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.433 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.95 -43.3 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 53.1 109.311 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.4 m -106.23 -35.3 7.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 55.03 110.033 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.051 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.3 t90 -46.32 -53.14 11.39 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 107.99 -1.115 . . . . 74.44 107.99 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.823 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -56.14 -33.31 65.06 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 44.54 109.299 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' SER . 16.5 t -72.34 -22.38 20.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 75.23 109.297 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -86.38 -34.13 20.3 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 73.34 109.315 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.436 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 16.3 mtt180 -80.06 -31.77 39.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.438 1.086 . . . . 75.24 110.311 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.877 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -66.56 -44.8 81.31 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 73.02 109.274 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.955 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.0 m-85 -71.38 -23.12 61.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 75.22 111.009 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.417 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 4.4 t60 -60.13 -23.61 64.02 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.138 . . . . 72.55 109.579 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -96.87 -26.66 15.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 65.04 109.24 -179.954 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.886 HD23 ' OE2' ' A' ' 106' ' ' GLU . 90.8 mt -67.33 -28.94 68.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.04 109.32 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.894 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.13 -3.2 34.82 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.474 1.109 . . . . 55.15 109.277 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.402 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.6 OUTLIER -99.76 -20.14 16.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 71.1 110.296 179.973 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.886 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.19 7.49 31.58 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 63.04 110.327 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 16.7 mmmt 58.47 50.94 8.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.523 1.14 . . . . 75.01 109.291 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.461 ' HB3' HG22 ' A' ' 14' ' ' ILE . 19.0 mt -109.17 -30.69 7.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 74.33 109.313 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.564 ' SG ' HD13 ' A' ' 14' ' ' ILE . 0.1 OUTLIER -152.59 145.49 17.41 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.511 1.132 . . . . 74.53 108.318 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.707 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.98 150.36 38.15 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.485 1.781 . . . . 65.43 111.039 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.08 -25.59 9.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 71.25 109.263 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.538 ' O ' HG23 ' A' ' 116' ' ' VAL . 43.7 m -45.63 -35.15 3.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 61.42 110.014 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.707 HD23 ' HD2' ' A' ' 110' ' ' PRO . 2.9 mm? -77.53 -51.57 10.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.432 1.082 . . . . 75.02 109.285 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.894 HH21 ' CB ' ' A' ' 104' ' ' ALA . 15.0 ttm180 -50.42 -24.81 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.493 1.121 . . . . 73.31 110.288 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.524 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.71 -69.89 0.59 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.472 1.107 . . . . 74.53 109.28 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 112' ' ' SER . 91.6 t -39.84 -38.08 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.459 1.099 . . . . 43.01 109.333 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.543 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.49 -56.1 16.36 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 61.05 109.327 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.591 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.9 m-85 -49.81 -38.59 35.31 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.487 1.117 . . . . 63.22 110.975 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.409 ' HA ' HD11 ' A' ' 148' ' ' ILE . 82.3 mt-30 -57.68 -57.19 13.83 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.11 . . . . 63.2 110.352 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 42.4 mm-40 -53.43 -21.74 6.57 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 1.122 . . . . 71.05 110.273 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -95.83 -23.7 16.8 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.502 1.126 . . . . 71.51 109.297 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.699 HG13 ' OE1' ' A' ' 137' ' ' GLN . 3.4 t -82.56 -22.28 9.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.507 1.13 . . . . 75.05 109.28 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -90.13 -31.82 16.93 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.437 1.086 . . . . 74.44 110.324 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.9 t -71.19 -40.51 71.17 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 71.33 110.407 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 90.1 mt -75.39 -36.79 60.82 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 74.32 109.277 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.64 ' OG ' HD21 ' A' ' 133' ' ' LEU . 5.8 m -71.56 -37.63 71.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.497 1.123 . . . . 71.34 109.965 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 31.4 t -64.8 -36.3 83.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.517 1.136 . . . . 65.41 109.984 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.2 ptt85 -103.74 5.38 36.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.12 110.309 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 17.1 t0 40.46 49.66 2.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 74.42 109.309 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 30.7 t0 -53.93 178.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.474 1.109 . . . . 61.13 109.311 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 21.0 p80 -90.33 -5.65 55.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.451 1.094 . . . . 64.21 109.63 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.69 5.05 15.22 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 73.51 110.287 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -51.77 -72.74 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 62.22 109.298 179.987 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.68 -34.32 14.36 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.521 1.138 . . . . 65.54 110.966 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -62.9 -34.76 78.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.48 0.753 . . . . 70.13 110.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.051 HD13 ' CE2' ' A' ' 94' ' ' TRP . 49.3 tp -75.75 -35.92 60.04 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.511 1.132 . . . . 74.14 109.317 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.699 ' OE1' HG13 ' A' ' 122' ' ' VAL . 38.9 mm-40 -66.47 -16.29 64.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 74.01 110.296 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -106.48 -18.57 13.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 63.55 109.307 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -84.74 -59.65 2.29 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.439 1.087 . . . . 72.23 110.306 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.484 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -52.22 -20.97 2.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.488 1.117 . . . . 53.41 109.328 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.495 ' O ' ' N ' ' A' ' 145' ' ' GLY . 35.4 mtm180 -85.68 -59.89 2.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 73.02 110.314 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 4.6 t-20 -50.67 -22.78 2.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.41 109.265 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.6 mmp_? -83.61 -78.43 0.23 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 73.22 110.327 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.36 -55.68 19.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 1.12 . . . . 70.51 108.339 179.94 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.495 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.55 64.37 0.73 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.501 1.126 . . . . 72.0 110.981 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.781 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.46 -169.06 3.22 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.997 -1.112 . . . . 61.43 107.997 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 44.3 m-20 -117.51 60.14 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 63.13 109.29 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.781 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.7 tt -63.55 -37.38 79.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 73.34 109.259 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.688 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -43.01 -31.84 0.58 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 73.44 109.324 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.7 14.2 23.96 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.518 1.136 . . . . 44.11 111.025 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.455 ' HB3' ' CD1' ' A' ' 155' ' ' ILE . 3.2 m-20 -70.98 160.62 81.84 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.487 0.757 . . . . 35.03 109.327 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 1.76 7.39 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.502 1.79 . . . . 74.41 111.021 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . 0.43 ' O ' HD12 ' A' ' 155' ' ' ILE . . . 92.8 -43.16 2.61 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.563 1.164 . . . . 72.11 110.981 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -86.61 76.42 9.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 0.776 . . . . 75.05 109.993 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 151' ' ' ASP . 0.1 OUTLIER -131.79 131.79 61.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.498 1.124 . . . . 73.24 109.308 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 27.8 mtp85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.529 1.143 . . . . 74.22 110.301 -179.991 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 29.8 m80 . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.63 -0.507 . . . . 74.14 109.63 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 32.2 mmt 61.18 50.15 5.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 71.24 110.98 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.88 -71.7 0.47 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.132 . . . . 63.13 109.323 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 61.9 m -88.92 172.94 8.79 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 73.03 108.264 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.3 t -120.57 12.67 11.57 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 74.12 110.412 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -149.71 -91.06 0.09 OUTLIER Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.53 1.144 . . . . 63.02 110.99 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.793 ' HB3' HD23 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -75.0 -169.53 0.65 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.532 1.806 . . . . 74.3 111.031 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.51 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 6.8 p -179.9 157.64 0.72 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.532 1.145 . . . . 55.2 109.999 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.861 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.8 OUTLIER -56.82 -49.44 93.81 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.549 1.156 . . . . 44.32 109.299 -179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -21.95 15.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.549 1.815 . . . . 52.4 110.992 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.51 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 7.0 t -63.73 -39.96 95.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 70.13 110.014 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.081 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -70.35 -26.87 63.94 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.503 1.127 . . . . 43.13 109.315 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -75.13 -34.3 61.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 62.12 111.026 179.944 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.1 t70 -69.53 -39.83 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.132 . . . . 74.2 109.343 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.705 HG21 ' SG ' ' A' ' 109' ' ' CYS . 7.7 mt -67.64 -21.17 27.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 74.23 109.29 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.973 HD11 HD21 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -68.59 -58.78 3.77 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 1.107 . . . . 74.54 109.277 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.56 -7.18 52.96 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.477 1.11 . . . . 74.31 111.038 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -102.64 14.65 31.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 0.791 . . . . 71.22 109.302 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.857 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.31 -76.28 0.5 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 52.13 109.308 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.3 136.9 2.47 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.502 1.126 . . . . 40.4 111.015 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 19' ' ' GLY . 18.7 tp60 -37.56 -58.12 0.89 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 0.744 . . . . 64.55 110.339 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -64.64 -37.87 89.05 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 63.45 109.284 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.857 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 7.0 tptt -47.49 -31.45 4.27 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 75.24 109.287 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.489 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.1 -63.34 1.24 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.46 1.1 . . . . 72.35 109.319 -179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 78.3 mt -41.55 -50.31 4.03 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 63.44 109.357 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -58.51 -53.32 59.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 55.35 111.015 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 108' ' ' LEU . 19.1 mt -67.51 -10.91 56.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.125 . . . . 74.13 109.3 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.479 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -86.63 -31.53 21.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.135 . . . . 74.31 109.298 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 83.4 m-70 -103.2 -0.87 29.85 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.095 . . . . 71.44 109.616 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.42 -20.08 20.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 73.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.825 HD22 ' HG2' ' A' ' 40' ' ' GLN . 3.3 mt -105.9 13.35 29.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 52.03 109.28 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 16.3 mmtt -67.54 -24.14 65.51 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 53.05 109.289 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.9 m -114.02 91.56 23.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 73.42 110.423 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 160.23 40.45 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.499 1.789 . . . . 65.35 111.038 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.536 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -98.74 168.43 9.78 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 71.15 110.283 -179.976 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 97.52 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.511 1.795 . . . . 53.01 111.0 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.14 7.55 32.72 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 53.53 110.974 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.4 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 14.2 p -67.71 126.36 29.12 Favored 'General case' 0 C--N 1.324 -0.502 0 N-CA-C 108.322 -0.992 . . . . 61.5 108.322 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.13 0.23 6.47 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 65.23 110.283 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.494 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -112.09 -28.37 3.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.54 1.15 . . . . 72.04 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.825 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -77.48 -63.66 1.32 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.514 0.773 . . . . 35.42 110.322 179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.9 t0 -50.73 -42.44 57.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.499 1.124 . . . . 72.45 109.281 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.592 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -58.19 -56.82 17.18 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.522 1.139 . . . . 63.34 109.267 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.042 HD11 HD21 ' A' ' 103' ' ' LEU . 1.8 tt -55.46 -30.46 60.58 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.505 1.128 . . . . 72.34 109.311 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.533 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.5 t-160 -54.47 -31.47 55.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.451 1.094 . . . . 71.2 109.612 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.504 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -86.53 -22.57 26.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 30.11 109.299 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.604 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 65.7 mtp -84.73 -9.9 57.77 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 1.141 . . . . 64.3 111.0 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.732 HG23 HD23 ' A' ' 43' ' ' LEU . 91.5 t -95.46 -55.04 6.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 73.4 109.274 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.533 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.4 mm? -39.96 -50.48 2.52 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.474 1.109 . . . . 74.31 109.285 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.638 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.4 mp -49.51 -53.23 24.44 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.432 1.083 . . . . 64.1 109.31 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.4 ' HB3' ' CD2' ' A' ' 23' ' ' LEU . 6.9 mmmt -40.4 -31.36 0.14 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 71.22 109.334 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.464 ' CD1' ' HE2' ' A' ' 27' ' ' LYS . 4.2 mt -88.6 -44.24 10.78 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.487 1.117 . . . . 54.41 109.261 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.451 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 115.42 16.02 7.31 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.52 1.138 . . . . 71.11 110.999 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.1 pt20 -121.09 70.92 0.93 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.52 0.776 . . . . 72.52 110.367 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -65.02 -19.06 65.81 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 55.25 110.291 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.45 -32.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.508 1.13 . . . . 63.54 110.388 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -89.61 -45.26 9.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.33 110.32 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.509 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -45.17 -40.21 6.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.552 1.157 . . . . 73.24 109.34 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.6 mtp180 -61.57 -48.97 78.53 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.126 . . . . 63.44 110.24 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -54.25 -60.15 1.64 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 72.43 109.297 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -52.53 -39.22 61.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 73.1 110.019 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.867 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.2 mt -62.13 -38.18 87.97 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.114 . . . . 73.11 109.332 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -77.03 -13.19 59.99 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.532 1.145 . . . . 63.41 110.279 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.25 8.17 19.44 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.534 1.146 . . . . 73.12 109.28 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.9 mt -127.12 53.76 1.69 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.516 1.135 . . . . 75.13 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.35 -31.14 13.81 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.116 . . . . 61.22 109.315 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -73.55 -60.67 2.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.536 1.148 . . . . 55.2 109.305 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.759 ' OD1' HD22 ' A' ' 64' ' ' LEU . 6.7 m-20 -53.95 113.08 1.09 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.544 1.152 . . . . 74.22 109.288 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.456 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -81.9 -0.55 44.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.457 1.098 . . . . 75.12 109.294 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.694 HG21 ' HB2' ' A' ' 95' ' ' ALA . 2.6 t -95.39 -14.22 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 74.55 109.264 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.867 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -76.34 -22.0 55.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.448 1.092 . . . . 55.4 109.267 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.489 ' O ' ' CZ ' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -88.08 -34.5 17.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 63.22 110.3 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.742 HD13 ' C ' ' A' ' 72' ' ' LEU . 0.5 OUTLIER -80.38 -39.3 28.7 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 74.21 109.303 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.671 HG23 HG12 ' A' ' 69' ' ' VAL . 45.9 t -65.81 -10.98 11.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 75.13 109.302 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.843 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -80.98 -62.38 1.68 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 64.24 109.321 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.713 ' CA ' HG22 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -72.29 -7.43 49.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 1.137 . . . . 73.35 110.319 179.959 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.59 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.8 tp-100 -88.58 -40.63 13.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 62.32 110.334 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.781 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.0 m-90 -114.81 -59.09 2.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.547 1.154 . . . . 74.42 108.048 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.843 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -47.58 -37.1 11.71 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 72.41 109.293 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.88 29.13 55.32 Favored Glycine 0 CA--C 1.531 1.061 0 O-C-N 124.514 1.134 . . . . 72.45 111.024 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.785 HG23 ' H ' ' A' ' 82' ' ' SER . 23.5 m -55.35 -167.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.548 0.793 . . . . 75.12 109.304 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.424 ' O ' ' C ' ' A' ' 82' ' ' SER . 1.7 t70 -95.18 23.69 5.55 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 62.34 109.306 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.785 ' H ' HG23 ' A' ' 80' ' ' VAL . 89.1 p 37.52 48.69 0.92 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 44.42 109.96 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.7 p -41.14 -27.86 0.08 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 72.35 110.372 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.42 ' N ' ' C ' ' A' ' 82' ' ' SER . 11.8 pt-20 -113.59 -171.44 1.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.5 1.125 . . . . 74.33 110.307 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -73.83 138.44 76.62 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 61.55 109.304 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 -14.16 21.45 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.47 1.774 . . . . 65.42 111.015 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 -38.96 154.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.548 1.155 . . . . 61.21 110.291 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.7 OUTLIER -79.71 138.81 54.26 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.507 1.129 . . . . 74.34 110.26 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.533 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.0 Cg_endo -75.08 173.92 13.68 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.487 1.783 . . . . 74.1 110.995 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.81 21.57 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.461 1.769 . . . . 71.23 111.05 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.47 ' HB3' ' CG2' ' A' ' 69' ' ' VAL . 0.2 OUTLIER -110.28 27.07 9.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.54 1.15 . . . . 74.15 109.288 -179.997 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.776 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -44.78 -74.89 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 43.2 109.297 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.584 ' H ' HG13 ' A' ' 92' ' ' VAL . 3.5 m -72.96 -46.88 49.94 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.465 1.103 . . . . 74.33 110.005 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.116 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.7 t90 -41.22 -66.2 0.36 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.35 107.968 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.694 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.29 -55.13 2.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.15 . . . . 74.12 109.286 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.861 HG22 ' HG ' ' A' ' 8' ' ' LEU . 29.8 t -47.97 -41.69 9.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.493 1.12 . . . . 72.45 109.298 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.522 ' HB3' ' O ' ' A' ' 94' ' ' TRP . . . -61.53 -47.06 87.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 70.12 109.324 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.435 ' NH1' ' OD1' ' A' ' 91' ' ' ASP . 24.1 mtt180 -68.06 -24.16 65.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.436 1.085 . . . . 72.12 110.331 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.695 ' CD1' HD12 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -74.49 -50.05 19.77 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 44.33 109.325 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.081 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.8 m-85 -67.95 -22.03 65.06 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.474 1.109 . . . . 73.43 110.987 179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -59.74 -23.05 62.89 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.475 1.11 . . . . 73.12 109.6 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.539 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.0 mt -97.15 -31.07 12.65 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 74.02 109.301 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.042 HD21 HD11 ' A' ' 43' ' ' LEU . 87.2 mt -64.42 -14.97 59.64 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.486 1.116 . . . . 74.31 109.303 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -82.6 -12.33 57.77 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.531 1.144 . . . . 71.11 109.286 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -99.68 -20.35 16.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.504 1.128 . . . . 75.41 110.319 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -86.56 -18.75 30.7 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.499 1.125 . . . . 73.32 110.282 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.5 mmtm 79.19 26.34 0.43 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 75.42 109.324 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.97 HD11 HD11 ' A' ' 26' ' ' LEU . 34.9 mt -96.13 -37.66 10.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 53.34 109.325 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.705 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.2 m -139.16 140.45 26.41 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.531 1.144 . . . . 62.51 108.275 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 155.75 42.94 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.446 1.761 . . . . 61.01 111.012 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.699 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -67.73 -10.66 54.52 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.135 . . . . 73.42 109.295 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 18.2 m -55.15 -29.88 58.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 55.32 110.036 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.793 HD23 ' HB3' ' A' ' 6' ' ' PRO . 6.7 mp -86.11 -45.2 11.6 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.505 1.128 . . . . 72.32 109.289 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.699 HH21 ' HB2' ' A' ' 111' ' ' ALA . 4.3 ttp180 -40.04 -29.01 0.06 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.54 1.15 . . . . 73.43 110.254 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.548 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 14.5 m-20 -79.71 -64.34 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 74.12 109.328 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 26.6 t -40.15 -44.71 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.52 1.138 . . . . 71.31 109.331 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.505 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -60.31 -61.46 2.58 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.126 . . . . 71.11 109.27 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.546 ' O ' HG23 ' A' ' 122' ' ' VAL . 1.7 m-85 -45.51 -41.25 9.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.515 1.134 . . . . 74.31 111.018 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.441 ' O ' ' N ' ' A' ' 122' ' ' VAL . 76.5 mt-30 -55.95 -63.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.554 1.159 . . . . 50.53 110.281 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 10.2 mm-40 -50.42 -28.32 7.98 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 74.55 110.325 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -82.24 -28.15 32.04 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 34.35 109.296 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.706 HG22 HE22 ' A' ' 137' ' ' GLN . 19.3 t -76.93 -8.55 11.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.467 1.105 . . . . 74.53 109.273 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 126' ' ' SER . 37.1 mmt180 -89.8 -71.45 0.61 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.516 1.135 . . . . 63.4 110.237 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.684 HG23 ' CD2' ' A' ' 125' ' ' LEU . 11.7 t -35.74 -39.11 0.14 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.464 1.102 . . . . 71.42 110.405 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.684 ' CD2' HG23 ' A' ' 124' ' ' THR . 0.6 OUTLIER -66.73 -56.2 11.62 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.49 1.119 . . . . 72.15 109.309 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 123' ' ' ARG . 11.2 t -52.89 -47.95 67.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.488 1.117 . . . . 75.54 110.012 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.8 t -52.37 -57.22 10.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.518 1.136 . . . . 70.45 109.989 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.497 ' CZ ' ' OD2' ' A' ' 130' ' ' ASP . 12.6 ptt180 -79.91 3.68 19.11 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.546 1.154 . . . . 70.51 110.303 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 125' ' ' LEU . 54.1 t0 38.42 46.26 0.92 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 63.1 109.319 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.497 ' OD2' ' CZ ' ' A' ' 128' ' ' ARG . 1.6 t0 -58.29 175.92 0.2 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 71.51 109.316 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.0 p-80 -92.74 -5.98 50.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.458 1.099 . . . . 71.4 109.611 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.465 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.2 OUTLIER -103.61 2.49 33.4 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.467 1.105 . . . . 72.41 110.305 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.652 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -58.0 -69.32 0.18 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 60.44 109.313 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.652 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.89 -28.9 18.3 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.511 1.132 . . . . 63.25 111.056 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -69.55 -34.28 73.97 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.559 0.799 . . . . 74.04 110.315 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.116 HD13 ' CE2' ' A' ' 94' ' ' TRP . 59.3 tp -72.86 -38.75 66.93 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 61.12 109.314 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.706 HE22 HG22 ' A' ' 122' ' ' VAL . 50.0 mm-40 -61.39 -17.8 55.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 52.05 110.297 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -106.46 -2.68 21.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.499 1.124 . . . . 54.31 109.3 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.448 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 4.8 tt0 -98.62 -45.81 5.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 73.34 110.328 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.526 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.42 -14.87 63.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.527 1.142 . . . . 74.02 109.288 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.548 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.0 mtm180 -95.83 -59.26 1.9 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 74.31 110.306 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 39.2 t-20 -50.59 -22.4 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 65.23 109.292 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.448 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.5 mmp_? -85.81 -79.03 0.25 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.569 1.168 . . . . 73.34 110.279 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.581 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.2 -55.74 22.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 72.33 108.309 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.52 68.28 0.82 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.55 1.156 . . . . 53.4 111.045 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -171.95 4.0 Favored 'General case' 0 C--N 1.326 -0.447 0 N-CA-C 108.018 -1.104 . . . . 74.23 108.018 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 p-10 -111.44 61.6 0.61 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 75.12 109.272 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.5 tt -72.51 -34.85 49.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 73.12 109.303 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.548 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -47.28 -26.37 1.21 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.476 1.11 . . . . 72.12 109.305 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 118.77 -11.15 12.14 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.467 1.105 . . . . 71.12 111.0 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -50.15 147.06 7.61 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.503 0.766 . . . . 75.35 109.274 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 -10.41 21.32 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.468 1.773 . . . . 60.22 110.991 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 91.68 21.31 34.46 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.495 1.122 . . . . 73.14 110.954 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m 62.27 45.47 6.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.445 0.732 . . . . 71.44 109.984 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 7.0 mt -54.44 144.64 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.473 1.108 . . . . 61.11 109.303 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 14.2 ttp180 . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.107 . . . . 74.11 110.283 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 109.602 -0.518 . . . . 73.23 109.602 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.9 mmt -89.0 157.38 18.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 60.14 110.977 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.25 -30.98 12.3 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.491 1.119 . . . . 64.52 109.344 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 26.7 p -101.75 139.46 37.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.534 1.147 . . . . 63.51 108.331 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.5 p -106.35 13.04 29.17 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.04 110.381 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -162.01 -87.1 0.06 OUTLIER Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.528 1.143 . . . . 64.44 110.999 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.807 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.93 -162.42 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.486 1.782 . . . . 73.02 110.997 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.491 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.3 OUTLIER 177.54 147.65 0.14 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 65.31 109.975 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.708 HD13 HG22 ' A' ' 96' ' ' VAL . 52.2 tp -55.45 -45.17 99.91 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 72.41 109.324 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.625 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -22.28 15.02 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.513 1.796 . . . . 61.35 111.0 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.1 t -63.04 -40.79 98.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.422 1.076 . . . . 71.34 109.995 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.845 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -67.31 -26.77 66.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.536 1.148 . . . . 71.22 109.287 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.8 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -73.58 -38.14 65.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 74.02 111.033 179.984 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -71.51 -36.99 71.24 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 54.22 109.261 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.922 HD13 ' SG ' ' A' ' 109' ' ' CYS . 22.1 mt -68.55 -25.49 31.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 63.01 109.314 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.918 HD22 HG22 ' A' ' 47' ' ' VAL . 0.7 OUTLIER -62.84 -56.77 14.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.536 1.147 . . . . 61.15 109.277 -179.954 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -65.35 -9.69 44.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.528 1.143 . . . . 73.41 111.017 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -100.12 15.6 26.87 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 0.734 . . . . 60.43 109.288 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.862 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -98.17 -73.13 0.63 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 44.24 109.345 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.614 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 174.49 136.7 2.3 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.461 1.101 . . . . 64.31 110.976 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 45.4 tp60 -40.62 -52.36 2.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 0.78 . . . . 74.14 110.329 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -72.03 -31.89 66.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 73.41 109.269 -179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.862 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptm -53.58 -27.98 29.49 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 64.4 109.306 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.646 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -78.91 -59.39 2.8 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.436 1.085 . . . . 75.42 109.286 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.69 HD13 HD13 ' A' ' 51' ' ' LEU . 2.6 mm? -47.06 -57.84 4.63 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.482 1.114 . . . . 73.33 109.298 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -47.99 -71.5 0.07 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 71.15 110.98 -179.97 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.461 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 90.6 mt -38.58 -50.17 1.57 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.521 1.138 . . . . 74.25 109.291 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.415 ' HG2' ' NE2' ' A' ' 44' ' ' HIS . 0.0 OUTLIER -52.55 -53.06 51.42 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.522 1.139 . . . . 54.02 109.285 179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.466 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 98.3 m-70 -59.55 -16.01 22.19 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.489 1.118 . . . . 64.24 109.59 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.1 tttt -85.62 -49.68 7.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.521 1.138 . . . . 61.2 109.346 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.714 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.46 -13.59 41.95 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.479 1.112 . . . . 52.24 109.291 179.999 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 30.6 mmtt -39.28 -41.05 0.84 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 51.52 109.319 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -101.22 108.76 56.32 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 55.33 110.371 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 134.57 18.02 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.551 1.816 . . . . 54.4 111.02 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 3.8 mtp180 -86.95 164.1 37.9 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.143 . . . . 70.25 110.274 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 99.06 1.21 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.501 1.79 . . . . 54.41 110.974 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.03 22.11 18.6 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.547 1.154 . . . . 64.51 111.007 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 28.8 p -79.74 118.75 21.82 Favored 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.305 -0.998 . . . . 50.51 108.305 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.93 -5.45 9.59 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.551 1.157 . . . . 75.5 110.259 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -110.77 -34.32 2.24 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.479 1.112 . . . . 43.23 110.998 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.622 ' HG2' HD22 ' A' ' 30' ' ' LEU . 4.0 tt0 -69.11 -61.77 1.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 0.787 . . . . 74.54 110.313 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.805 ' CB ' HD21 ' A' ' 64' ' ' LEU . 15.8 t0 -56.11 -42.52 76.98 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.126 . . . . 63.4 109.325 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.932 HD21 HG21 ' A' ' 73' ' ' VAL . 2.1 tt -58.54 -55.06 39.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.519 1.137 . . . . 74.32 109.29 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.924 HD13 HD21 ' A' ' 99' ' ' LEU . 5.4 tp -58.08 -27.0 63.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 72.33 109.303 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.714 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.7 t-160 -57.46 -40.5 78.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 73.04 109.631 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.6 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -76.52 -33.82 58.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.515 1.135 . . . . 72.22 109.336 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.601 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 61.7 mtp -75.39 -13.99 60.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 75.23 110.996 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.918 HG22 HD22 ' A' ' 15' ' ' LEU . 70.4 t -95.31 -49.8 12.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 70.12 109.304 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.556 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.0 OUTLIER -40.35 -51.86 2.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 75.41 109.275 -180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.3 mp -50.33 -53.5 28.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 63.42 109.306 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.9 mmmt -41.67 -29.11 0.17 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.513 1.133 . . . . 74.21 109.267 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.768 HD12 HE21 ' A' ' 53' ' ' GLN . 3.5 mt -88.94 -44.2 10.61 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.113 . . . . 74.05 109.318 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.41 14.02 7.84 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.508 1.13 . . . . 74.35 110.989 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.768 HE21 HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -124.86 82.11 2.02 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 71.53 110.354 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.8 pt-20 -75.08 -17.41 60.47 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.439 1.087 . . . . 74.24 110.311 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.466 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.35 -31.29 0.05 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 60.3 110.383 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.27 -41.58 10.32 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.03 110.263 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.521 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -48.37 -36.29 14.29 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 73.21 109.31 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.0 mtp180 -64.39 -47.9 77.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.484 1.115 . . . . 74.24 110.258 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.466 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.8 mp -58.22 -50.02 79.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.127 . . . . 70.44 109.287 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.482 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.2 OUTLIER -57.17 -52.7 64.24 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 70.5 109.996 -179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.843 HD22 ' O ' ' A' ' 70' ' ' ALA . 8.1 mt -58.64 -29.68 66.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.491 1.12 . . . . 74.33 109.285 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 40.5 tp10 -85.87 -14.46 44.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 72.32 110.308 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -92.57 14.3 17.29 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 70.3 109.302 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.805 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.2 mt -130.49 54.07 1.91 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.521 1.138 . . . . 70.1 109.296 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.444 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 3.7 mppt? -54.15 -37.57 64.57 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 74.51 109.333 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.95 -56.85 16.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.102 . . . . 35.22 109.322 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.558 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -71.32 124.54 24.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.499 1.125 . . . . 73.55 109.317 179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -87.75 -14.14 40.51 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.502 1.126 . . . . 72.22 109.282 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.825 HG21 ' O ' ' A' ' 91' ' ' ASP . 47.0 t -76.05 -25.97 17.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.442 1.089 . . . . 41.33 109.253 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.843 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -71.45 -45.75 61.79 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.558 1.161 . . . . 62.05 109.307 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.444 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 4.4 mtm-85 -65.9 -27.75 68.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 74.42 110.328 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.902 HD23 ' CZ ' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -85.5 -34.22 21.63 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 74.21 109.369 179.948 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.932 HG21 HD21 ' A' ' 42' ' ' LEU . 7.8 t -67.76 -10.64 12.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.514 1.134 . . . . 71.11 109.34 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.724 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.72 -60.45 2.36 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 74.24 109.304 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.902 ' CZ ' HD23 ' A' ' 72' ' ' LEU . 6.8 ptt85 -74.19 -8.09 54.98 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.503 1.127 . . . . 55.44 110.336 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.589 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -88.51 -40.57 13.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.516 1.135 . . . . 74.33 110.307 -179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.8 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 24.7 m-90 -116.81 -58.88 2.03 Favored 'General case' 0 C--N 1.325 -0.462 0 N-CA-C 107.957 -1.127 . . . . 75.21 107.957 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.724 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.1 -21.02 4.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.467 1.104 . . . . 63.53 109.268 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 59.21 31.66 69.91 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.522 1.139 . . . . 75.22 110.985 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.684 HG23 ' H ' ' A' ' 82' ' ' SER . 27.5 m -57.38 -168.05 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 0.763 . . . . 74.44 109.314 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.404 ' O ' ' C ' ' A' ' 82' ' ' SER . 4.5 t0 -91.6 21.17 4.84 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 61.32 109.298 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.684 ' H ' HG23 ' A' ' 80' ' ' VAL . 5.1 p 38.46 49.54 1.39 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 54.23 110.031 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 2.9 p -43.2 -26.66 0.18 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.471 1.107 . . . . 71.13 110.375 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.408 ' N ' ' C ' ' A' ' 82' ' ' SER . 1.6 mt-10 -87.8 -166.27 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 44.44 110.311 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' OD2' ' CD ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -96.93 144.13 27.32 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.114 . . . . 72.33 109.299 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 83.49 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.5 1.79 . . . . 74.15 110.99 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.402 ' CD ' ' OD2' ' A' ' 85' ' ' ASP . 6.5 pt-20 -151.8 132.56 14.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.45 1.094 . . . . 64.04 110.301 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 -60.42 134.37 91.26 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 72.52 110.301 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.772 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 170.34 20.64 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.454 1.765 . . . . 52.03 111.031 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -8.64 20.26 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.478 1.778 . . . . 62.53 111.009 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.825 ' O ' HG21 ' A' ' 69' ' ' VAL . 13.5 m-20 -116.8 27.15 9.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.469 1.105 . . . . 74.2 109.289 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -47.45 -39.53 6.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 73.23 109.306 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 2.4 m -101.92 -37.86 8.05 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.489 1.118 . . . . 73.41 110.004 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -49.72 -58.2 5.79 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 71.41 107.988 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.803 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -47.67 -25.06 1.07 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.464 1.102 . . . . 72.42 109.312 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.708 HG22 HD13 ' A' ' 8' ' ' LEU . 2.7 t -84.35 -38.76 13.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.104 . . . . 61.54 109.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.671 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.22 -30.65 71.15 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.428 1.08 . . . . 63.13 109.344 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.526 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 9.2 mtt180 -85.06 -26.46 26.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 1.127 . . . . 74.04 110.273 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.924 HD21 HD13 ' A' ' 43' ' ' LEU . 5.2 tt -74.4 -47.6 32.94 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 72.55 109.275 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.845 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -69.17 -18.16 63.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.51 1.131 . . . . 73.32 111.009 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.557 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.4 t60 -66.95 -24.68 66.09 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 63.23 109.589 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.418 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -94.53 -32.42 13.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 73.32 109.332 179.969 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 31.0 mt -63.38 -22.67 67.02 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 72.51 109.313 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.811 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.88 -10.83 59.87 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 64.21 109.249 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -99.69 -20.16 16.42 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 64.22 110.288 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -87.48 -11.79 47.93 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 64.53 110.339 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 65.5 mmtt 69.56 27.46 4.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 71.4 109.299 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.6 mt -91.36 -39.24 12.13 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.135 . . . . 70.33 109.346 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.922 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.2 m -138.97 153.35 71.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 74.25 108.29 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 170.31 20.7 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.457 1.767 . . . . 70.22 110.995 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.43 -12.59 59.54 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.553 1.158 . . . . 34.54 109.333 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 20.3 p -56.18 -26.75 51.85 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 73.02 110.04 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.807 HD12 ' CB ' ' A' ' 6' ' ' PRO . 4.4 mm? -82.84 -50.72 8.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.492 1.12 . . . . 75.32 109.304 179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.811 HH21 ' CB ' ' A' ' 104' ' ' ALA . 10.7 ttm180 -50.36 -23.62 2.47 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 75.32 110.263 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.6 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.7 OUTLIER -81.26 -69.97 0.57 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 73.34 109.321 -179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.501 HG12 ' OE2' ' A' ' 120' ' ' GLU . 75.7 t -42.2 -37.99 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.444 1.09 . . . . 73.24 109.308 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.479 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -62.07 -61.31 2.57 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.479 1.112 . . . . 53.32 109.261 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.671 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.9 m-85 -44.11 -36.93 2.81 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 74.11 111.02 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.457 ' O ' ' N ' ' A' ' 122' ' ' VAL . 84.7 mt-30 -60.04 -65.69 0.64 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.562 1.164 . . . . 44.24 110.314 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.501 ' OE2' HG12 ' A' ' 116' ' ' VAL . 15.4 mt-10 -47.85 -23.75 0.83 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 72.32 110.293 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.08 -34.95 18.98 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 72.22 109.312 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.678 HG22 HE22 ' A' ' 137' ' ' GLN . 13.9 t -72.15 -10.12 13.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 70.21 109.31 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.464 ' O ' ' N ' ' A' ' 126' ' ' SER . 14.3 mmt180 -89.19 -72.51 0.55 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 72.44 110.278 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.472 HG23 ' CD2' ' A' ' 125' ' ' LEU . 7.5 t -40.55 -39.45 1.04 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.093 . . . . 72.2 110.395 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.563 HD13 ' CB ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -65.48 -47.11 77.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.03 109.285 -179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.464 ' N ' ' O ' ' A' ' 123' ' ' ARG . 36.3 t -64.34 -60.37 3.26 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 73.13 109.98 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.4 t -39.14 -58.09 1.21 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 72.15 110.018 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.461 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -74.33 -23.29 59.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.538 1.149 . . . . 71.04 110.289 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.465 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.4 t70 64.54 52.3 1.81 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 75.54 109.302 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.563 ' CB ' HD13 ' A' ' 125' ' ' LEU . 29.5 t0 -59.53 174.05 0.48 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.457 1.098 . . . . 62.21 109.306 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.9 p80 -88.27 -1.19 57.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.509 1.131 . . . . 75.51 109.633 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.504 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -113.99 -2.1 13.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 75.32 110.296 -179.964 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.619 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.0 tm? -47.0 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.476 1.11 . . . . 64.25 109.298 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.619 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.88 -33.32 43.1 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.509 1.13 . . . . 54.44 110.985 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -66.34 -29.96 70.26 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 0.778 . . . . 55.13 110.33 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.8 tp -77.56 -37.28 51.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.475 1.11 . . . . 72.14 109.283 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.678 HE22 HG22 ' A' ' 122' ' ' VAL . 59.5 mm-40 -62.36 -18.66 62.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 75.42 110.305 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -106.56 -2.44 21.88 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.556 1.16 . . . . 74.03 109.276 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.462 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 3.3 tt0 -98.12 -45.28 6.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 71.34 110.339 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -70.28 -13.04 61.99 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.452 1.095 . . . . 72.01 109.293 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.583 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 24.6 mtm180 -98.3 -58.92 1.86 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.457 1.098 . . . . 72.14 110.272 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.6 t-20 -50.66 -22.3 1.98 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 74.43 109.313 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.557 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.5 mmp_? -85.39 -78.92 0.25 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.481 1.113 . . . . 72.32 110.306 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.58 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.73 -55.59 22.07 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.524 1.14 . . . . 51.52 108.294 180.0 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.73 66.98 0.79 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.527 1.142 . . . . 74.43 111.045 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.965 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.78 -171.46 3.82 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.021 -1.103 . . . . 74.01 108.021 -179.995 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -112.26 61.84 0.63 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.498 1.124 . . . . 72.04 109.303 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.965 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.3 tt -72.78 -25.5 22.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 61.13 109.266 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.583 ' HB3' ' NH1' ' A' ' 141' ' ' ARG . . . -58.49 -18.06 26.06 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.498 1.123 . . . . 35.33 109.303 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 91.01 -3.54 80.79 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.542 1.151 . . . . 73.12 110.967 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -52.25 164.33 0.62 Allowed Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.554 0.797 . . . . 74.41 109.262 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.562 ' CB ' HD11 ' A' ' 155' ' ' ILE . 18.3 Cg_endo -74.98 -2.85 13.07 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.516 1.798 . . . . 72.34 110.995 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.77 -58.31 0.43 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.508 1.13 . . . . 34.34 111.009 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t 173.8 98.51 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.511 0.771 . . . . 73.34 109.974 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.562 HD11 ' CB ' ' A' ' 152' ' ' PRO . 0.5 OUTLIER -147.69 133.48 11.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.453 1.095 . . . . 70.45 109.306 179.966 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 53.7 mmt-85 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.21 110.333 179.998 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.591 -0.522 . . . . 73.22 109.591 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.9 tpp -97.64 -13.2 21.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 75.24 111.034 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -68.97 122.09 17.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 71.31 109.306 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.4 m -108.49 40.73 1.71 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.529 1.143 . . . . 65.51 108.313 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 1.081 HG23 HG21 ' A' ' 116' ' ' VAL . 50.5 m -152.6 149.46 28.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.468 1.105 . . . . 74.31 110.395 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 96.75 78.3 1.4 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.572 1.17 . . . . 71.41 111.01 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.753 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.5 Cg_endo -74.93 -169.9 0.7 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.489 1.784 . . . . 54.24 110.997 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -171.15 174.13 4.74 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.445 1.091 . . . . 73.22 110.016 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.776 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.69 -52.31 34.88 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.542 1.151 . . . . 73.24 109.281 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.506 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.98 -27.37 10.12 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.431 1.753 . . . . 62.43 111.008 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 33.6 t -50.42 -46.79 56.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.536 1.148 . . . . 65.31 109.995 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -63.08 -34.53 77.79 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.483 1.114 . . . . 73.1 109.307 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.79 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -68.76 -38.06 79.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 62.44 111.005 179.982 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.44 -51.49 51.01 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 71.32 109.321 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 13.2 mt -64.27 -14.05 14.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 52.25 109.309 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tp -80.62 -40.4 25.72 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 55.44 109.289 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -80.82 -1.31 89.42 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.519 1.137 . . . . 73.15 110.993 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -114.33 18.76 16.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.504 0.767 . . . . 45.13 109.269 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.864 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -89.84 -75.24 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 54.14 109.32 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 179.02 136.28 2.57 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.454 1.096 . . . . 54.24 110.989 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.412 ' C ' ' O ' ' A' ' 19' ' ' GLY . 28.1 tp60 -38.11 -55.78 1.24 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 0.781 . . . . 74.34 110.249 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -69.07 -35.65 76.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.535 1.147 . . . . 54.14 109.31 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.864 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 9.4 tptt -47.22 -31.37 3.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 1.108 . . . . 62.01 109.294 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -74.2 -59.15 2.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 64.52 109.331 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.435 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 96.7 mt -46.54 -58.2 4.01 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.522 1.139 . . . . 74.54 109.283 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.468 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.4 t80 -45.73 -71.51 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 72.4 110.98 -179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 28.4 mt -39.69 -56.1 1.77 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.51 1.131 . . . . 60.25 109.292 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.691 ' HE2' HD11 ' A' ' 51' ' ' LEU . 1.3 ttmt -45.07 -63.92 0.82 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.509 1.13 . . . . 73.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.439 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 97.6 m-70 -51.03 -22.7 2.49 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 63.01 109.612 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' LEU . 2.5 tttp -85.27 -31.0 23.34 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.457 1.098 . . . . 72.14 109.302 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.721 HD22 ' CG ' ' A' ' 40' ' ' GLN . 3.5 mt -80.95 -20.09 42.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 71.35 109.348 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 17.6 mmtt -38.4 -36.15 0.22 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.532 1.145 . . . . 70.54 109.304 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.31 108.31 40.17 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.515 1.135 . . . . 41.51 110.363 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 146.1 32.15 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.47 1.774 . . . . 54.12 110.991 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.542 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -84.85 159.96 56.58 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.118 . . . . 75.41 110.295 -179.996 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 98.08 1.13 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.485 1.781 . . . . 52.53 110.932 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 108.08 9.18 28.39 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.535 1.147 . . . . 54.15 110.986 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -86.07 124.68 32.77 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.318 -0.993 . . . . 73.3 108.318 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.52 -1.16 7.48 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.5 1.125 . . . . 75.45 110.289 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -104.8 -28.78 5.52 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.491 1.119 . . . . 75.55 111.052 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.721 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.3 tt0 -76.59 -60.7 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.529 0.782 . . . . 74.52 110.323 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.892 ' CB ' HD21 ' A' ' 64' ' ' LEU . 11.7 t0 -47.75 -38.78 16.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 73.3 109.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.792 HD11 HG21 ' A' ' 73' ' ' VAL . 24.6 tp -66.04 -47.5 74.16 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.502 1.127 . . . . 75.31 109.284 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.783 HD13 HD11 ' A' ' 99' ' ' LEU . 27.1 tp -61.57 -29.92 70.33 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.474 1.109 . . . . 61.43 109.291 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.578 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.0 t-160 -62.05 -27.52 68.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 63.25 109.553 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.615 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -84.49 -17.44 39.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 64.55 109.308 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.58 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 35.7 mtp -98.66 -20.33 17.03 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 71.53 111.029 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.585 HG23 ' O ' ' A' ' 43' ' ' LEU . 40.2 t -76.76 -48.42 26.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.482 1.114 . . . . 72.31 109.312 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.523 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.2 mm? -47.13 -50.41 20.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.461 1.1 . . . . 64.21 109.307 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.518 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.1 mt -47.06 -53.17 13.27 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.58 1.175 . . . . 71.04 109.304 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.453 ' HE2' ' CA ' ' A' ' 16' ' ' GLY . 3.0 mmmt -40.38 -35.95 0.49 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.128 . . . . 75.32 109.277 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.691 HD11 ' HE2' ' A' ' 27' ' ' LYS . 1.9 mt -83.49 -44.7 14.43 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.464 1.102 . . . . 63.24 109.334 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.84 13.32 7.95 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.532 1.145 . . . . 74.4 110.984 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.45 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.1 pt20 -121.45 80.38 1.66 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 0.767 . . . . 63.34 110.352 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -74.65 -17.51 60.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 75.21 110.347 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -38.23 -34.37 0.12 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.481 1.113 . . . . 62.01 110.416 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.4 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.7 mp0 -89.21 -45.48 9.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.483 1.114 . . . . 55.12 110.324 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.465 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.34 -39.2 3.02 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 72.35 109.323 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.505 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -61.08 -47.03 88.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 61.31 110.31 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -60.32 -56.94 14.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 73.23 109.289 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.623 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 p -45.47 -50.16 12.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 62.25 110.007 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.615 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 7.3 mt -53.65 -49.77 67.19 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.56 1.163 . . . . 72.23 109.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 20.2 tp10 -63.21 -13.97 43.73 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 75.21 110.305 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.623 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -82.6 5.0 22.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.496 1.123 . . . . 72.43 109.322 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.892 HD21 ' CB ' ' A' ' 41' ' ' ASP . 10.9 mt -118.7 47.95 1.54 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.491 1.12 . . . . 55.11 109.279 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -49.88 -24.98 2.78 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.493 1.121 . . . . 71.5 109.289 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.82 34.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 64.42 109.281 -179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.437 ' N ' ' O ' ' A' ' 64' ' ' LEU . 5.6 t0 -158.6 129.41 6.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 75.24 109.333 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.56 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -87.68 -31.16 19.88 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 53.24 109.292 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.637 HG21 ' HB2' ' A' ' 95' ' ' ALA . 10.7 t -55.16 -22.24 10.56 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 71.32 109.345 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.612 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.87 -45.18 36.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 74.14 109.275 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -75.28 -12.68 60.33 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.489 1.118 . . . . 72.42 110.271 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.879 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -97.38 -25.72 15.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 74.03 109.284 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.88 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 7.0 t -87.7 -6.46 10.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.525 1.14 . . . . 75.33 109.291 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.999 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -85.18 -35.42 21.69 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.141 . . . . 72.44 109.305 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.694 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.3 ptt-85 -98.3 -6.15 31.56 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 64.31 110.29 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 4.1 tp-100 -91.3 -44.14 9.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 74.21 110.319 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.88 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 23.8 m-90 -107.25 -58.98 1.88 Allowed 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 107.966 -1.124 . . . . 74.43 107.966 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.999 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -56.65 -43.17 80.05 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.502 1.126 . . . . 65.43 109.278 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 75.2 42.27 29.18 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.482 1.113 . . . . 71.54 110.99 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.563 HG23 ' H ' ' A' ' 82' ' ' SER . 25.9 m -61.16 -138.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.5 0.765 . . . . 63.12 109.257 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.555 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.2 t70 -107.34 22.48 15.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.542 1.151 . . . . 72.43 109.337 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.563 ' H ' HG23 ' A' ' 80' ' ' VAL . 73.5 p 36.01 54.78 0.98 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 1.125 . . . . 73.55 110.021 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.3 p -45.0 -24.61 0.24 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 64.4 110.407 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 18.1 mm-40 -90.38 -170.89 2.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 71.43 110.345 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -108.9 172.61 3.53 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 75.33 109.25 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 74.2 4.08 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.536 1.808 . . . . 63.32 110.988 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 9.1 pt-20 -149.92 123.27 9.0 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 63.24 110.301 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -59.44 149.07 71.46 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.494 1.122 . . . . 70.45 110.271 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HB3' ' HB3' ' A' ' 68' ' ' ALA . 18.5 Cg_endo -74.92 173.38 14.57 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.454 1.765 . . . . 72.31 111.009 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -18.86 18.35 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.522 1.801 . . . . 71.45 110.987 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.574 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -108.64 27.16 9.7 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.137 . . . . 64.03 109.244 -179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.692 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -39.99 -69.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.499 1.124 . . . . 64.44 109.321 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.538 ' H ' HG13 ' A' ' 92' ' ' VAL . 58.0 m -80.91 -43.92 19.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 71.11 110.049 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.035 ' CD2' HD12 ' A' ' 136' ' ' LEU . 3.2 t90 -41.74 -66.38 0.35 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.521 1.138 . . . . 75.21 108.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.637 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.43 -53.5 3.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.502 1.126 . . . . 60.43 109.293 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.692 HG23 ' O ' ' A' ' 92' ' ' VAL . 29.6 t -50.24 -43.31 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.491 1.119 . . . . 64.02 109.343 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.449 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.84 -28.91 67.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 62.14 109.297 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.576 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 34.6 mtt180 -82.14 -21.33 36.69 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 74.52 110.282 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.783 HD11 HD13 ' A' ' 43' ' ' LEU . 1.8 tp -80.26 -41.75 24.46 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.511 1.132 . . . . 63.33 109.307 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.679 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.3 m-85 -70.25 -29.04 65.73 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.462 1.102 . . . . 71.42 111.001 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 10.5 t60 -56.47 -19.3 14.65 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 55.42 109.549 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.51 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.2 mt -95.66 -25.17 16.23 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.51 1.131 . . . . 71.34 109.297 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.883 HD23 ' OE2' ' A' ' 106' ' ' GLU . 75.7 mt -69.86 -27.36 64.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.486 1.116 . . . . 74.24 109.267 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.94 -4.88 37.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 74.33 109.321 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -99.16 -19.73 17.01 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 64.52 110.313 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.883 ' OE2' HD23 ' A' ' 103' ' ' LEU . 1.9 pt-20 -107.63 -7.96 16.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.495 1.122 . . . . 61.44 110.297 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 71.96 46.92 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 74.42 109.308 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.752 HD12 ' CD2' ' A' ' 103' ' ' LEU . 9.8 mt -99.33 -27.64 13.67 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.506 1.129 . . . . 62.2 109.322 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 27.2 p -154.51 151.43 23.82 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.447 1.092 . . . . 75.22 108.31 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.423 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.3 Cg_endo -74.97 144.66 30.61 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.482 1.78 . . . . 50.4 110.983 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -44.7 -26.83 0.42 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 53.54 109.275 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.423 ' N ' ' C ' ' A' ' 110' ' ' PRO . 15.4 m -45.83 -45.86 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 62.3 110.008 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.3 OUTLIER -63.61 -48.01 79.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.41 109.264 -179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.564 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.3 ttp180 -50.38 -26.45 4.96 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 70.12 110.34 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.452 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 15.7 m-20 -86.05 -68.39 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.467 1.105 . . . . 75.51 109.319 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 1.081 HG21 HG23 ' A' ' 4' ' ' THR . 72.6 t -39.34 -34.78 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 71.35 109.242 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.669 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -70.3 -53.66 15.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 64.03 109.245 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.564 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.3 m-85 -53.77 -40.67 66.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.56 1.163 . . . . 70.41 111.034 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 122' ' ' VAL . 83.1 mt-30 -52.2 -64.29 0.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 61.42 110.277 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 22.7 mt-10 -44.97 -27.29 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.123 . . . . 74.34 110.283 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.542 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -79.04 -45.47 20.1 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 65.53 109.334 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.662 HG13 ' OE1' ' A' ' 137' ' ' GLN . 48.8 t -53.63 -20.58 3.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 61.22 109.32 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.451 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.4 mmt180 -89.4 -66.12 0.95 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.477 1.111 . . . . 64.13 110.32 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.636 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.39 -29.95 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 53.13 110.43 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.697 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -87.69 -63.0 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 61.23 109.308 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.494 ' N ' HD23 ' A' ' 133' ' ' LEU . 10.0 t -38.16 -48.68 1.28 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.469 1.105 . . . . 72.32 110.008 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 t -53.23 -58.75 5.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.532 1.145 . . . . 64.14 110.017 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.496 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -79.76 4.87 15.05 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 75.24 110.264 -179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.532 ' N ' ' O ' ' A' ' 125' ' ' LEU . 1.6 m-20 42.36 36.67 0.78 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.54 1.15 . . . . 71.42 109.241 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.496 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.4 t0 -41.79 154.2 0.05 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.547 1.154 . . . . 74.32 109.282 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 14.0 p80 -74.32 -4.39 36.01 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 63.34 109.592 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.91 -0.07 18.4 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 74.45 110.292 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.758 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -51.6 -68.88 0.13 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 75.2 109.31 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.758 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -50.93 -31.49 24.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.582 1.176 . . . . 64.52 111.0 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -66.61 -31.97 73.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 0.774 . . . . 72.31 110.291 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.035 HD12 ' CD2' ' A' ' 94' ' ' TRP . 7.4 tt -74.72 -47.27 32.35 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.542 1.151 . . . . 62.34 109.275 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.662 ' OE1' HG13 ' A' ' 122' ' ' VAL . 33.8 mm-40 -52.01 -23.98 5.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.126 . . . . 73.54 110.275 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -99.36 -22.65 15.46 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.58 1.175 . . . . 75.33 109.348 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.405 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 1.5 tt0 -75.27 -61.64 1.83 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 75.44 110.313 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.535 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -52.21 -20.25 2.5 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 1.12 . . . . 74.2 109.311 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.523 ' O ' ' N ' ' A' ' 145' ' ' GLY . 7.8 mtm105 -86.97 -64.87 1.08 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.448 1.093 . . . . 72.11 110.273 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -46.26 -26.09 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 74.43 109.274 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.405 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.6 mmp_? -81.22 -78.86 0.17 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.116 . . . . 61.31 110.341 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.578 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -64.86 -56.72 11.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.475 1.109 . . . . 64.51 108.34 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.523 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.52 63.68 0.79 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.462 1.101 . . . . 61.24 110.993 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.867 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.33 -167.39 2.47 Favored 'General case' 0 C--N 1.324 -0.503 0 N-CA-C 107.972 -1.121 . . . . 72.14 107.972 179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -115.47 60.63 0.7 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.496 1.123 . . . . 74.21 109.302 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.867 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.6 tt -69.11 -35.46 68.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.45 1.094 . . . . 73.13 109.304 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.652 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.01 -20.29 16.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 52.14 109.294 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 100.72 -4.39 56.37 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.498 1.124 . . . . 64.41 110.98 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -50.04 162.8 0.46 Allowed Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.507 0.769 . . . . 65.35 109.309 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.678 ' CD ' HD11 ' A' ' 155' ' ' ILE . 18.3 Cg_endo -75.03 -7.9 19.56 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.541 1.811 . . . . 53.13 111.001 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.45 -16.19 46.2 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.499 1.124 . . . . 52.2 111.036 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 61.4 m -90.66 22.16 3.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.517 0.775 . . . . 64.4 109.977 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.678 HD11 ' CD ' ' A' ' 152' ' ' PRO . 1.2 pt -150.98 161.21 3.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.527 1.142 . . . . 74.24 109.283 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 71.11 110.346 179.965 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 1.3 t60 . . . . . 0 N--CA 1.452 -0.327 0 N-CA-C 109.617 -0.512 . . . . 74.42 109.617 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.6 mmm -121.11 -174.91 2.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 74.24 110.951 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -159.12 167.09 30.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 71.12 109.346 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 19.3 t -122.04 21.7 10.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 72.34 108.3 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 11.9 p -139.23 -179.35 5.82 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.48 1.112 . . . . 71.24 110.384 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -92.22 -92.71 1.42 Allowed Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.495 1.122 . . . . 61.31 111.041 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.659 ' CB ' HD12 ' A' ' 113' ' ' LEU . 18.2 Cg_endo -75.04 -166.87 0.37 Allowed 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.47 1.774 . . . . 63.23 110.993 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -171.79 167.97 6.23 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.139 . . . . 63.51 109.986 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.962 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -62.36 -51.67 71.82 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 65.53 109.294 179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.517 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.96 -25.26 12.12 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.467 1.772 . . . . 55.23 110.989 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 45.0 t -51.55 -45.74 63.13 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 73.22 110.039 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.981 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.55 -26.97 68.11 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 55.0 109.299 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.796 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -73.68 -36.23 65.28 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.472 1.108 . . . . 73.04 111.028 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -70.64 -37.45 73.76 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.573 1.17 . . . . 74.23 109.246 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.884 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.7 mt -70.41 -19.52 22.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.507 1.129 . . . . 64.21 109.303 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.986 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.7 OUTLIER -69.24 -54.37 15.11 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.507 1.129 . . . . 61.34 109.258 -179.983 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.44 -7.32 60.49 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.513 1.133 . . . . 64.31 110.988 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.48 13.54 34.7 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.539 0.788 . . . . 63.01 109.34 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -95.93 -65.04 1.0 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 73.33 109.289 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 161.78 134.1 1.59 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.467 1.104 . . . . 60.22 110.965 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 19' ' ' GLY . 27.2 tp60 -37.55 -56.07 1.05 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.516 0.774 . . . . 74.04 110.308 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.6 p-10 -63.34 -40.7 98.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.512 1.133 . . . . 72.05 109.315 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 8.9 tptt -46.99 -31.95 3.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.511 1.132 . . . . 70.43 109.27 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.699 ' HB3' HD21 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -73.47 -59.98 2.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 1.123 . . . . 64.24 109.306 179.959 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.545 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 84.8 mt -44.4 -51.38 8.66 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 34.4 109.331 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.492 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.6 t80 -54.65 -72.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.472 1.108 . . . . 55.23 111.021 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 HD21 ' OE2' ' A' ' 106' ' ' GLU . 81.0 mt -39.12 -60.8 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.132 . . . . 71.42 109.316 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.56 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -43.05 -61.16 1.38 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.49 1.119 . . . . 73.34 109.3 179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 86.6 m-70 -52.19 -30.43 27.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 73.33 109.654 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.461 ' N ' ' O ' ' A' ' 26' ' ' LEU . 8.8 tttt -79.3 -26.33 42.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.136 . . . . 53.14 109.303 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.788 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -81.71 -24.32 36.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.553 1.158 . . . . 65.33 109.281 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 19.5 mmtt -39.35 -31.88 0.1 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.109 . . . . 51.04 109.35 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.48 ' O ' HG22 ' A' ' 32' ' ' THR . 0.9 OUTLIER -117.25 98.95 52.49 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.469 1.106 . . . . 71.21 110.386 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.91 150.95 39.39 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.52 1.8 . . . . 72.42 111.028 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.432 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 0.4 OUTLIER -91.75 159.12 39.03 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.499 1.124 . . . . 73.14 110.292 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.31 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.484 1.781 . . . . 73.5 111.012 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 113.05 5.04 23.79 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.537 1.148 . . . . 61.14 111.014 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -82.38 123.27 28.96 Favored 'General case' 0 C--N 1.324 -0.504 0 N-CA-C 108.356 -0.979 . . . . 64.33 108.356 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' HA ' ' OD2' ' A' ' 67' ' ' ASP . 0.0 OUTLIER -123.93 -2.92 8.18 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.499 1.124 . . . . 73.43 110.32 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.512 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.17 -32.63 4.56 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.502 1.126 . . . . 74.33 111.032 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.666 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.9 OUTLIER -74.53 -67.91 0.58 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 0.753 . . . . 71.14 110.33 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.873 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.1 t0 -40.22 -41.55 1.33 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 33.44 109.294 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.506 ' CD1' HG11 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -64.08 -49.94 70.28 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 65.53 109.29 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.986 ' CD1' HD11 ' A' ' 15' ' ' LEU . 5.3 tp -58.89 -29.35 66.96 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.436 1.085 . . . . 73.24 109.332 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.599 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.3 t-160 -58.62 -41.62 86.36 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 1.101 . . . . 74.11 109.586 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -76.85 -21.61 54.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 64.25 109.286 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.439 ' HA ' ' CE2' ' A' ' 12' ' ' PHE . 44.5 mtp -90.71 -8.17 50.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.522 1.139 . . . . 71.31 110.962 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.823 HG23 ' O ' ' A' ' 43' ' ' LEU . 51.1 t -94.91 -51.83 10.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 61.53 109.296 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.463 HD13 ' HA ' ' A' ' 48' ' ' LEU . 1.4 mm? -41.93 -50.12 4.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.527 1.142 . . . . 75.4 109.307 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 77' ' ' TRP . 5.2 mp -50.28 -52.61 34.95 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 64.4 109.307 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.409 ' HD3' ' CE1' ' A' ' 12' ' ' PHE . 3.4 mmmt -40.51 -30.2 0.11 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.515 1.134 . . . . 72.34 109.305 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.699 HD21 ' HB3' ' A' ' 23' ' ' LEU . 1.0 OUTLIER -91.08 -43.31 9.98 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.14 . . . . 74.34 109.308 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.03 14.73 7.64 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.544 1.152 . . . . 72.54 111.006 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.554 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.4 pt20 -120.39 72.26 0.94 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 0.78 . . . . 61.43 110.308 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.44 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.61 -17.97 63.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.48 1.113 . . . . 74.43 110.322 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.434 ' O ' HD13 ' A' ' 59' ' ' ILE . 1.1 m -39.0 -29.64 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.524 1.14 . . . . 63.33 110.378 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.44 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.5 OUTLIER -92.76 -44.13 8.68 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.532 1.145 . . . . 60.23 110.299 179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.489 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.6 -37.84 5.96 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.51 1.131 . . . . 63.24 109.274 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.8 mtp180 -61.99 -38.94 90.5 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 70.12 110.35 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.435 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.7 mp -67.63 -62.81 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 64.23 109.259 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.455 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.3 t -43.61 -45.6 6.85 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 70.23 110.0 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.849 HD22 ' O ' ' A' ' 70' ' ' ALA . 12.3 mt -56.08 -47.53 77.81 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.544 1.153 . . . . 75.05 109.333 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -66.62 -13.68 61.45 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 74.52 110.298 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.455 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -88.1 12.95 12.24 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.52 1.138 . . . . 73.02 109.338 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.873 HD21 ' CB ' ' A' ' 41' ' ' ASP . 20.2 mt -124.45 54.97 1.34 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.142 . . . . 70.21 109.291 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.443 ' C ' ' NH2' ' A' ' 71' ' ' ARG . 9.4 mmmm -59.64 -15.87 22.16 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 64.44 109.271 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -87.97 -44.02 11.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 1.14 . . . . 63.45 109.263 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.618 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -78.02 130.17 36.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.106 . . . . 74.34 109.318 -179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -91.35 -17.23 26.21 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 74.31 109.319 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.756 HG21 ' HB2' ' A' ' 95' ' ' ALA . 3.2 t -77.75 -19.53 13.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 71.52 109.29 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.849 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.98 -7.91 44.65 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 64.24 109.287 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.443 ' NH2' ' C ' ' A' ' 65' ' ' LYS . 5.3 mmt85 -101.24 -37.19 8.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 74.01 110.322 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.798 HD13 ' O ' ' A' ' 72' ' ' LEU . 0.8 OUTLIER -80.58 -11.2 59.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 73.31 109.286 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.651 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 24.6 t -96.64 -6.0 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.12 . . . . 62.55 109.275 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.993 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.94 -35.64 17.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.131 . . . . 55.31 109.263 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.778 HH21 HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -98.28 -5.99 31.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.562 1.164 . . . . 74.11 110.305 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.575 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -91.67 -44.74 8.85 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.485 1.115 . . . . 54.52 110.299 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.962 ' CH2' HD22 ' A' ' 8' ' ' LEU . 22.0 m-90 -106.73 -58.61 1.91 Allowed 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 107.97 -1.122 . . . . 53.55 107.97 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.993 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -57.45 -24.88 58.28 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.54 1.15 . . . . 51.23 109.317 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.447 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 55.23 41.36 78.82 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.518 1.136 . . . . 53.13 110.995 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.603 HG13 ' O ' ' A' ' 74' ' ' ALA . 20.5 m -60.51 -140.11 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.541 0.789 . . . . 63.13 109.301 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.573 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.2 t0 -112.32 26.7 10.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.458 1.099 . . . . 64.42 109.273 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.569 ' H ' HG23 ' A' ' 80' ' ' VAL . 88.0 p 35.88 51.55 0.74 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.464 1.102 . . . . 72.04 109.999 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 6.2 p -54.98 -18.47 5.11 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.521 1.138 . . . . 71.21 110.365 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 1.0 OUTLIER -98.84 -161.39 0.87 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 70.11 110.331 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 3.8 t0 -93.38 132.01 31.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.474 1.108 . . . . 72.21 109.309 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 59.23 5.12 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.527 1.804 . . . . 73.11 110.979 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.407 ' CG ' ' OD1' ' A' ' 85' ' ' ASP . 3.2 mm-40 -126.35 -168.81 1.91 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.488 1.117 . . . . 70.34 110.321 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.592 ' HB3' HG11 ' A' ' 92' ' ' VAL . 10.1 mt-10 -107.41 129.8 23.75 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 73.41 110.338 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.682 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.02 168.32 25.08 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.492 1.785 . . . . 74.41 111.013 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.478 1.778 . . . . 75.22 110.999 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.5 ' O ' ' CB ' ' A' ' 95' ' ' ALA . 67.1 m-20 -119.24 26.55 9.39 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.514 1.134 . . . . 74.45 109.315 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.773 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -46.87 -79.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 64.25 109.338 179.96 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.469 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.1 m -66.13 -50.28 64.55 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 73.41 110.031 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.079 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.4 t90 -39.89 -67.28 0.24 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.511 1.132 . . . . 71.24 108.038 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.756 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.21 -53.67 1.87 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 64.23 109.297 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.814 HG22 ' HG ' ' A' ' 8' ' ' LEU . 20.1 t -51.67 -46.54 38.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 72.54 109.313 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -60.53 -62.66 1.7 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 53.13 109.298 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.453 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 27.1 mtt180 -48.46 -25.57 1.72 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.536 1.147 . . . . 71.22 110.277 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.622 HD11 HD13 ' A' ' 43' ' ' LEU . 2.3 tp -81.13 -40.71 23.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 1.144 . . . . 74.11 109.325 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.981 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 3.7 m-85 -76.53 -10.63 59.53 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.459 1.099 . . . . 64.31 111.009 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.566 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.0 t60 -77.82 -18.93 55.79 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.464 1.102 . . . . 65.31 109.625 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.534 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -97.26 -28.43 14.07 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 72.01 109.29 -179.977 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.996 HD23 ' OE1' ' A' ' 106' ' ' GLU . 43.2 mt -65.87 -29.04 69.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.126 . . . . 72.1 109.294 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.71 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -76.95 -3.27 37.97 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.533 1.145 . . . . 73.42 109.327 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.425 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 0.7 OUTLIER -99.74 -20.24 16.35 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.106 . . . . 75.53 110.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.996 ' OE1' HD23 ' A' ' 103' ' ' LEU . 3.0 pt-20 -105.38 -9.47 17.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.147 . . . . 75.12 110.302 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm 77.44 38.25 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.152 . . . . 71.41 109.309 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.473 HD11 HD11 ' A' ' 26' ' ' LEU . 10.2 mt -95.64 -39.58 9.84 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.491 1.12 . . . . 62.42 109.289 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.884 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -140.14 148.67 55.46 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 74.02 108.291 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.45 ' HG2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.97 155.52 43.06 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 64.54 110.991 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.03 -12.94 43.07 Favored 'General case' 0 C--N 1.326 -0.429 0 O-C-N 124.513 1.133 . . . . 71.22 109.321 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 1.2 m -63.75 -16.4 61.07 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.098 . . . . 63.22 109.967 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.659 HD12 ' CB ' ' A' ' 6' ' ' PRO . 3.7 mm? -96.47 -40.35 9.12 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.504 1.128 . . . . 71.42 109.349 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.71 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.4 ttm180 -57.54 -25.77 60.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.503 1.127 . . . . 75.22 110.273 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.503 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -81.68 -66.86 0.84 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 60.12 109.293 179.994 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 83.1 t -45.59 -35.97 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 55.25 109.344 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.457 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -65.01 -53.28 48.46 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 72.12 109.315 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.841 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -53.27 -43.64 67.59 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 64.33 110.993 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.535 ' O ' HG22 ' A' ' 122' ' ' VAL . 75.0 mt-30 -53.57 -52.27 60.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.556 1.16 . . . . 61.45 110.336 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 73.7 mm-40 -61.21 -13.93 21.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 1.088 . . . . 71.04 110.279 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.472 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -91.7 -30.13 16.46 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.131 . . . . 62.11 109.351 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.841 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -81.54 -27.18 10.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 62.3 109.29 179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.407 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -76.12 -32.82 59.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.541 1.151 . . . . 74.14 110.312 -179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -72.99 -40.37 65.29 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.524 1.14 . . . . 72.53 110.41 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.684 HD11 ' CE3' ' A' ' 94' ' ' TRP . 84.8 mt -76.79 -43.82 35.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 1.116 . . . . 70.22 109.321 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.563 ' OG ' HD21 ' A' ' 133' ' ' LEU . 68.2 m -65.11 -35.79 82.22 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.525 1.141 . . . . 43.31 109.975 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.407 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 10.6 t -66.71 -36.56 82.77 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.46 1.1 . . . . 74.32 110.009 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.445 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.8 OUTLIER -100.66 6.44 44.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 1.136 . . . . 73.13 110.332 179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 5.4 m-20 42.1 49.22 4.23 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.517 1.135 . . . . 54.44 109.288 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.499 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 27.3 t0 -62.33 176.67 0.58 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.503 1.127 . . . . 74.41 109.264 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 1.5 p-80 -92.93 -15.34 26.43 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 51.5 109.596 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.499 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.1 OUTLIER -101.41 16.5 25.42 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.472 1.107 . . . . 73.12 110.309 -179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.725 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.0 OUTLIER -70.73 -63.01 1.18 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.545 1.153 . . . . 73.02 109.298 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.725 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.9 -30.16 44.4 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.524 1.14 . . . . 63.1 110.973 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -71.73 -29.57 64.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.501 0.765 . . . . 73.22 110.338 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.079 HD13 ' CE2' ' A' ' 94' ' ' TRP . 40.8 tp -74.7 -42.88 57.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 75.22 109.295 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.802 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 39.0 mm-40 -62.74 -13.96 38.95 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.439 1.087 . . . . 73.25 110.319 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -106.77 -4.97 18.79 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 75.25 109.314 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -99.36 -47.11 5.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.562 1.164 . . . . 71.2 110.287 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.486 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -66.91 -16.43 64.32 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.145 . . . . 73.2 109.26 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 36.7 mtm180 -91.63 -58.37 2.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 74.41 110.273 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 -51.4 -21.79 2.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 73.23 109.286 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.566 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.0 mmp_? -85.92 -77.88 0.29 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.505 1.128 . . . . 74.54 110.306 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.577 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.42 -55.99 17.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.097 . . . . 65.15 108.28 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.81 65.34 0.73 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.457 1.098 . . . . 74.45 111.014 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.874 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.36 -170.77 3.63 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.98 -1.118 . . . . 73.41 107.98 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -114.7 62.69 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 64.33 109.286 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.874 HD12 ' CH2' ' A' ' 146' ' ' TRP . 9.9 tt -65.59 -37.06 79.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 74.43 109.281 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.802 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -46.59 -25.63 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.5 1.125 . . . . 54.25 109.329 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.416 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 101.43 4.44 52.91 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.502 1.126 . . . . 54.32 110.987 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -50.36 163.66 0.44 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.484 0.755 . . . . 64.31 109.323 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -14.28 21.2 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.526 1.803 . . . . 73.03 111.0 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 104.07 6.44 42.56 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.474 1.109 . . . . 65.12 111.026 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 t 71.71 38.26 0.99 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 0.735 . . . . 74.02 109.997 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 4.9 pt -109.81 166.81 4.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 O-C-N 124.535 1.147 . . . . 72.45 109.266 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 33.1 mmm-85 . . . . . 0 C--N 1.326 -0.452 0 O-C-N 124.533 1.146 . . . . 63.43 110.313 -179.986 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.7 p80 . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 109.587 -0.523 . . . . 75.13 109.587 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -106.83 17.6 22.94 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.495 1.122 . . . . 74.02 110.973 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.46 115.86 31.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 44.21 109.311 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 16.0 m -106.94 92.93 4.29 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 74.21 108.306 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.0 t -39.63 137.1 0.91 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.486 1.116 . . . . 71.34 110.367 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -156.39 -87.63 0.06 OUTLIER Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.495 1.122 . . . . 75.05 110.974 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.748 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 -162.92 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.486 1.782 . . . . 54.1 110.984 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.464 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.8 t 179.99 178.49 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 63.14 109.966 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.537 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.55 -52.01 20.97 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 63.11 109.341 179.965 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.05 -32.68 5.13 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.516 1.798 . . . . 71.03 110.998 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.455 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 58.3 m -44.62 -44.99 9.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 75.01 109.998 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.867 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.32 -37.66 86.45 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 1.126 . . . . 62.3 109.287 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.799 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -68.24 -35.86 78.59 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 71.14 111.004 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 49.5 t0 -65.21 -53.29 46.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 72.13 109.314 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.63 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.9 mt -56.66 -24.32 19.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.486 1.117 . . . . 72.45 109.269 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 ' CD1' HD11 ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.41 -56.61 18.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 51.42 109.319 179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.77 -6.73 52.57 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.482 1.113 . . . . 74.54 110.992 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -97.54 -16.51 20.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.525 0.78 . . . . 73.14 109.308 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.874 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -68.43 -65.23 0.72 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.526 1.141 . . . . 74.22 109.289 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 159.19 139.06 2.6 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.47 1.106 . . . . 62.11 111.036 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 22.5 tp60 -42.18 -58.87 1.98 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.532 0.784 . . . . 72.22 110.323 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 8.9 p30 -62.54 -25.31 67.97 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.459 1.099 . . . . 64.34 109.284 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.874 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -67.13 -17.32 64.81 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 64.15 109.307 -179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.751 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.0 OUTLIER -93.6 -44.38 8.23 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 73.24 109.273 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.598 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 82.1 mt -61.53 -48.36 81.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 74.25 109.284 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -54.95 -70.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.488 1.117 . . . . 63.02 111.016 -179.992 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.561 HD22 ' OE2' ' A' ' 106' ' ' GLU . 87.1 mt -49.05 -38.65 24.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.502 1.126 . . . . 74.34 109.291 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.645 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.28 -52.15 62.34 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 75.12 109.266 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.645 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.6 m-70 -65.08 -12.13 47.25 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 54.22 109.614 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.2 tttt -86.12 -49.82 7.48 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.459 1.099 . . . . 73.4 109.305 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.711 HD12 ' HA ' ' A' ' 44' ' ' HIS . 1.8 mt -59.97 -16.52 31.06 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.497 1.123 . . . . 72.52 109.322 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 9.7 mmtt -39.49 -39.54 0.72 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 72.42 109.27 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.402 ' O ' ' CG2' ' A' ' 32' ' ' THR . 0.5 OUTLIER -110.93 119.14 46.73 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 73.43 110.375 -179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 137.06 21.16 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.484 1.781 . . . . 53.21 110.996 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -86.05 164.79 37.48 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.485 1.116 . . . . 74.13 110.249 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 97.86 1.11 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.52 1.8 . . . . 70.11 111.029 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.63 22.57 13.76 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.486 1.116 . . . . 22.11 110.975 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.25 116.01 22.21 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.316 -0.994 . . . . 73.54 108.316 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.42 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -119.85 -8.78 9.8 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.534 1.146 . . . . 73.35 110.263 -179.945 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.64 -38.0 2.14 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.461 1.101 . . . . 51.32 111.024 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.673 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.3 OUTLIER -63.22 -66.36 0.55 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.518 0.775 . . . . 73.42 110.279 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.747 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.3 t0 -45.87 -41.21 10.97 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.497 1.123 . . . . 73.31 109.298 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.641 HD11 HG21 ' A' ' 73' ' ' VAL . 19.1 tp -60.99 -54.35 46.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 74.34 109.302 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.904 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.6 tp -56.26 -32.29 64.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 72.25 109.303 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.711 ' HA ' HD12 ' A' ' 30' ' ' LEU . 8.8 t-160 -56.38 -27.85 57.47 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 71.15 109.587 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.654 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -86.76 -20.92 26.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.099 . . . . 60.44 109.374 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.61 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 42.4 mtp -93.37 -7.3 45.12 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.503 1.127 . . . . 72.34 110.977 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.904 HG23 ' O ' ' A' ' 43' ' ' LEU . 60.2 t -94.71 -55.87 5.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.431 1.082 . . . . 61.31 109.299 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.656 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.38 -40.31 1.16 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 72.34 109.295 -179.998 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.532 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.2 mt -55.15 -58.64 6.82 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.524 1.14 . . . . 72.41 109.268 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.751 ' HB3' HD13 ' A' ' 23' ' ' LEU . 21.6 mmtt -42.99 -28.09 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.527 1.142 . . . . 74.44 109.309 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.656 HD12 HD13 ' A' ' 48' ' ' LEU . 4.7 mt -83.68 -45.63 13.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.456 1.097 . . . . 71.02 109.331 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.441 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.52 18.8 6.42 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.523 1.139 . . . . 34.23 111.019 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -131.25 81.48 1.99 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 0.769 . . . . 71.0 110.286 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.4 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.5 pt-20 -71.64 -20.04 62.02 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 74.11 110.315 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.477 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.84 -35.03 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.486 1.116 . . . . 71.1 110.361 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.403 ' O ' ' N ' ' A' ' 59' ' ' ILE . 0.3 OUTLIER -86.67 -48.36 8.36 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.098 . . . . 73.03 110.273 -179.96 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.501 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -41.48 -39.33 1.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.499 1.124 . . . . 53.34 109.259 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.9 mtp180 -62.7 -49.92 73.17 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 75.24 110.279 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.477 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.73 -48.03 78.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.577 1.173 . . . . 64.42 109.271 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -59.14 -44.67 92.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 71.34 110.017 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.973 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.5 mt -62.7 -35.82 80.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 63.24 109.292 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -72.47 -14.61 61.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 61.2 110.305 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -85.04 7.72 20.44 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.505 1.128 . . . . 74.41 109.248 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.747 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -134.31 54.56 1.94 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.544 1.153 . . . . 61.34 109.268 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.418 ' O ' ' NH2' ' A' ' 71' ' ' ARG . 5.2 mmpt? -59.65 -20.26 54.85 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.141 . . . . 71.32 109.283 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.4 -52.11 8.05 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.467 1.105 . . . . 51.31 109.309 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.451 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.7 OUTLIER -66.11 111.45 3.41 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 64.05 109.308 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.462 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -74.98 -2.05 25.45 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.469 1.106 . . . . 74.01 109.301 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.764 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 t -88.52 -23.71 6.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.131 . . . . 63.12 109.279 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.973 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.23 -46.87 31.09 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.52 1.138 . . . . 54.15 109.284 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -62.25 -31.63 72.22 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.116 . . . . 71.33 110.3 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.988 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -83.75 -39.08 20.53 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 74.43 109.264 -179.949 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.708 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 4.4 t -65.34 -11.42 11.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 70.41 109.294 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.652 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.69 -68.54 0.61 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 71.13 109.301 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.988 HH21 HD23 ' A' ' 72' ' ' LEU . 3.7 ptt-85 -67.27 -7.11 21.7 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.118 . . . . 74.24 110.299 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.538 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.8 OUTLIER -89.6 -45.07 9.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 73.05 110.326 179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.799 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.9 m-90 -113.39 -59.63 1.99 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.476 1.11 . . . . 75.23 108.042 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.652 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -46.1 -26.12 0.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 40.45 109.267 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.412 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 78.33 16.61 79.28 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.52 1.138 . . . . 73.41 110.999 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.516 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.7 t -43.0 164.78 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.474 0.749 . . . . 74.23 109.296 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.516 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 2.3 t0 -84.65 45.89 1.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 73.1 109.261 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.427 ' C ' ' O ' ' A' ' 81' ' ' ASP . 55.7 p 36.29 33.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.44 1.088 . . . . 55.44 109.959 179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.457 ' N ' ' O ' ' A' ' 81' ' ' ASP . 6.8 p -42.66 -26.47 0.12 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 71.35 110.373 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.429 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 4.9 mm-40 -93.75 -159.07 0.66 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.575 1.172 . . . . 72.54 110.31 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.406 ' OD1' ' CD ' ' A' ' 87' ' ' GLU . 0.0 OUTLIER -102.85 139.77 20.45 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.497 1.123 . . . . 64.52 109.298 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 83.17 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.515 1.797 . . . . 53.14 110.968 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.406 ' CD ' ' OD1' ' A' ' 85' ' ' ASP . 5.2 pt-20 -150.63 129.72 12.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.131 . . . . 61.25 110.306 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 6.3 mt-10 -64.38 136.33 96.71 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.446 1.091 . . . . 74.1 110.325 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.462 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.4 Cg_endo -74.97 173.61 14.2 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 71.04 111.025 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -22.57 14.69 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.468 1.773 . . . . 45.34 111.017 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 1.2 m-20 -99.19 24.55 7.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.476 1.11 . . . . 74.34 109.309 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.437 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -41.49 -45.18 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 55.3 109.264 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.0 m -106.3 -41.39 5.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 54.35 110.001 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.817 ' CD2' HD12 ' A' ' 136' ' ' LEU . 4.8 t90 -42.88 -57.93 2.6 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 75.13 108.009 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.764 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.75 -50.67 24.78 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 1.119 . . . . 55.3 109.288 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.467 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 20.9 t -51.86 -32.69 14.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 70.44 109.29 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.698 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -74.06 -37.41 64.28 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.515 1.134 . . . . 61.2 109.296 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.42 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 10.5 mtt180 -77.78 -16.75 58.15 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 73.35 110.335 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.857 ' O ' HD12 ' A' ' 99' ' ' LEU . 0.3 OUTLIER -86.09 -52.74 5.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 72.33 109.32 179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.867 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.2 m-85 -61.16 -21.09 63.44 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.5 1.125 . . . . 55.31 111.028 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.574 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 2.1 t60 -67.52 -17.6 64.72 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.143 . . . . 75.43 109.59 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.454 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -97.21 -31.18 12.57 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.11 . . . . 65.04 109.299 -179.975 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.699 HD23 ' OE1' ' A' ' 106' ' ' GLU . 76.9 mt -65.54 -30.74 71.53 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.475 1.11 . . . . 61.11 109.328 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.18 -3.41 29.66 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.469 1.106 . . . . 72.44 109.31 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.413 ' CG ' ' HA ' ' A' ' 102' ' ' LEU . 1.8 mm-40 -99.45 -19.34 17.0 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 74.13 110.277 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.868 ' OE1' HD12 ' A' ' 108' ' ' LEU . 1.2 pt-20 -109.54 12.59 24.34 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.462 1.101 . . . . 73.31 110.334 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.6 mmtp 54.89 49.27 18.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.2 109.348 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.868 HD12 ' OE1' ' A' ' 106' ' ' GLU . 20.3 mt -112.04 -32.75 6.48 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 74.43 109.339 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.669 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.6 m -144.56 140.13 16.24 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 64.23 108.3 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.404 ' HD3' ' HA ' ' A' ' 109' ' ' CYS . 18.3 Cg_endo -74.97 152.15 40.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 71.42 111.007 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -56.02 -20.09 15.35 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.551 1.157 . . . . 75.22 109.344 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.402 ' O ' ' OD1' ' A' ' 115' ' ' ASP . 19.9 m -55.7 -20.42 14.26 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.557 1.161 . . . . 44.42 110.018 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.748 HD12 ' HB3' ' A' ' 6' ' ' PRO . 2.3 mm? -94.84 -30.36 14.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.491 1.119 . . . . 64.22 109.309 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.602 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 12.1 ttp180 -70.01 -27.18 64.47 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.527 1.142 . . . . 64.11 110.258 -179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.487 ' OD2' HG23 ' A' ' 116' ' ' VAL . 1.1 p30 -80.34 -50.85 9.6 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 73.42 109.316 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.569 HG12 ' HD2' ' A' ' 6' ' ' PRO . 51.9 t -66.37 -28.64 44.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 73.13 109.28 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 113' ' ' LEU . . . -71.29 -34.07 70.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 54.14 109.292 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.783 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.9 m-85 -74.14 -43.61 56.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.452 1.095 . . . . 54.34 110.996 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -56.63 -49.19 75.7 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.484 1.115 . . . . 33.11 110.299 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -58.93 -14.43 9.15 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 73.12 110.286 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.525 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -93.85 -50.28 5.43 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.509 1.13 . . . . 73.24 109.337 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 1.057 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -61.42 -25.51 36.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 62.43 109.286 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.475 ' O ' ' CB ' ' A' ' 127' ' ' SER . 0.0 OUTLIER -72.93 -32.71 65.48 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.551 1.157 . . . . 75.33 110.312 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.6 HG22 HD23 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -83.43 -40.42 19.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.524 1.14 . . . . 63.12 110.365 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.6 HD23 HG22 ' A' ' 124' ' ' THR . 2.1 mm? -68.21 -42.67 79.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.473 1.108 . . . . 65.22 109.283 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 24.1 t -73.5 -39.59 64.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.53 109.967 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . 0.475 ' CB ' ' O ' ' A' ' 123' ' ' ARG . 6.0 t -57.96 -32.93 68.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.493 1.121 . . . . 71.11 109.968 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.451 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.2 OUTLIER -103.43 -8.29 20.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.479 1.112 . . . . 72.42 110.345 179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 53.34 51.17 15.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 72.41 109.307 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.48 ' CB ' HD13 ' A' ' 125' ' ' LEU . 25.7 t0 -63.42 -179.36 0.33 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 64.21 109.262 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -94.67 -4.89 46.76 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 71.2 109.637 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.469 ' HG3' ' CD1' ' A' ' 125' ' ' LEU . 0.0 OUTLIER -111.31 2.94 17.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 55.12 110.347 179.969 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.735 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.1 tm? -57.12 -64.34 0.91 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.476 1.11 . . . . 71.42 109.348 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.735 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.51 -27.13 25.18 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.484 1.115 . . . . 54.55 110.996 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -71.25 -31.95 68.14 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 0.765 . . . . 65.44 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.057 HD22 HG12 ' A' ' 122' ' ' VAL . 5.8 tt -74.69 -42.74 57.86 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 75.02 109.286 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.807 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.2 mm-40 -61.49 -12.08 13.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 73.23 110.331 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -107.44 -8.97 16.09 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 1.156 . . . . 73.24 109.343 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 60.2 tt0 -94.94 -50.06 5.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 1.128 . . . . 73.34 110.291 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -63.78 -15.31 58.37 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 74.04 109.323 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.478 ' O ' ' N ' ' A' ' 145' ' ' GLY . 49.4 mtm180 -91.23 -62.01 1.53 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 75.12 110.313 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.53 -22.14 1.83 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 1.107 . . . . 75.11 109.314 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.574 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.3 mmp_? -85.36 -78.59 0.25 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 74.54 110.318 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.591 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.91 -55.57 18.52 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.443 1.089 . . . . 61.33 108.255 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.46 70.17 0.88 Allowed Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.487 1.117 . . . . 44.31 111.002 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.969 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.95 -170.38 3.63 Favored 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.989 -1.115 . . . . 52.43 107.989 -179.976 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 36.1 m-20 -114.16 59.91 0.67 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 64.52 109.32 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.969 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -68.44 -14.15 18.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 72.04 109.291 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.807 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -78.88 0.22 28.14 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 62.33 109.319 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 75.8 20.45 78.01 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.509 1.13 . . . . 54.24 110.994 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.44 ' OD1' ' NH1' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -51.36 164.63 0.47 Allowed Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.47 0.747 . . . . 73.15 109.322 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.555 ' O ' HG23 ' A' ' 155' ' ' ILE . 18.3 Cg_endo -74.99 -0.89 10.52 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.535 1.808 . . . . 71.23 111.004 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 76.03 24.94 67.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.125 . . . . 65.21 110.99 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.3 m 60.56 42.05 14.69 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 63.03 110.014 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.555 HG23 ' O ' ' A' ' 152' ' ' PRO . 6.0 pt -101.36 177.61 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.445 1.091 . . . . 74.35 109.316 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 9.7 ptt180 . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 74.43 110.285 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 13.9 p80 . . . . . 0 N--CA 1.453 -0.283 0 N-CA-C 109.588 -0.523 . . . . 73.22 109.588 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.0 mtt -80.09 149.7 30.54 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.508 1.13 . . . . 75.02 111.046 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.407 ' HB2' ' OG ' ' A' ' 7' ' ' SER . . . -172.71 159.77 4.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 73.43 109.339 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -87.41 -80.03 0.27 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.482 1.114 . . . . 62.45 108.335 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 4.2 p -127.17 9.11 6.71 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 61.32 110.416 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . 178.94 -85.98 0.07 OUTLIER Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.557 1.161 . . . . 70.42 111.023 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.54 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -167.38 0.42 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.481 1.779 . . . . 74.53 110.967 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.407 ' OG ' ' HB2' ' A' ' 2' ' ' ALA . 0.9 OUTLIER -174.38 172.77 3.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.489 1.118 . . . . 62.24 110.012 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' HG ' ' CG2' ' A' ' 96' ' ' VAL . 0.5 OUTLIER -66.26 -55.52 20.0 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 74.13 109.282 -179.932 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -21.53 15.77 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.478 1.778 . . . . 64.21 111.004 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 12.2 t -54.66 -43.77 72.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 52.34 109.983 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.97 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -65.19 -26.79 68.29 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 65.11 109.333 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -69.86 -36.67 75.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.522 1.139 . . . . 73.54 110.996 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -68.38 -42.44 79.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.518 1.136 . . . . 74.21 109.325 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.716 HD12 ' HA ' ' A' ' 11' ' ' ALA . 5.2 mt -65.13 -22.31 31.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 74.32 109.293 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.891 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.7 mt -70.93 -60.57 2.16 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 71.51 109.305 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -64.49 -12.74 53.02 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.529 1.143 . . . . 35.41 111.012 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.75 19.72 19.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 0.77 . . . . 74.11 109.327 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.12 -72.25 0.67 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 52.0 109.272 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.555 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 173.92 136.52 2.23 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.537 1.148 . . . . 22.44 111.0 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 33.2 tp60 -40.73 -52.08 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 0.766 . . . . 71.11 110.313 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -72.07 -31.78 66.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 71.53 109.324 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.4 tptt -53.36 -25.97 17.39 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.464 1.103 . . . . 74.55 109.262 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.702 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -83.84 -59.0 2.56 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.514 1.134 . . . . 74.25 109.309 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.886 HD23 HD21 ' A' ' 51' ' ' LEU . 66.6 mt -47.16 -57.87 4.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 62.43 109.274 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.568 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.96 -72.87 0.05 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.448 1.093 . . . . 73.23 110.977 -179.955 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.9 mt -39.8 -58.9 1.27 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.48 1.112 . . . . 53.15 109.344 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.541 ' HE2' HD22 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -42.43 -68.68 0.17 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 75.12 109.309 179.996 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.441 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 96.1 m-70 -52.55 -22.17 4.62 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 75.55 109.626 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.642 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.8 OUTLIER -81.0 -30.79 34.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.47 1.106 . . . . 70.45 109.343 179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.661 HD22 ' HG2' ' A' ' 40' ' ' GLN . 5.4 mt -76.29 -21.5 56.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.496 1.123 . . . . 72.45 109.276 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 28.6 mmtt -38.59 -31.44 0.06 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 75.4 109.288 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.444 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.1 m -105.01 104.95 49.5 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 64.22 110.36 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 140.04 25.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.501 1.79 . . . . 64.34 110.991 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -92.46 168.1 13.37 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 73.12 110.28 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 106.25 2.24 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.458 1.767 . . . . 72.21 110.99 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 83.69 27.97 36.86 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.544 1.152 . . . . 74.42 111.031 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.9 p -81.11 118.22 22.34 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 108.265 -1.013 . . . . 73.03 108.265 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.68 -4.5 9.22 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 75.32 110.311 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.506 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -108.5 -32.98 3.02 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.469 1.106 . . . . 31.31 110.995 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.661 ' HG2' HD22 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -74.21 -64.92 0.92 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 0.747 . . . . 74.34 110.284 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.869 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.1 t0 -48.2 -41.88 28.4 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 73.41 109.265 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.822 HD11 HG21 ' A' ' 73' ' ' VAL . 31.7 tp -60.75 -52.16 66.27 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.522 1.139 . . . . 64.42 109.284 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.049 ' O ' HG23 ' A' ' 47' ' ' VAL . 6.0 tp -58.25 -31.4 67.37 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.446 1.091 . . . . 62.42 109.293 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.633 ' HA ' HD12 ' A' ' 30' ' ' LEU . 5.9 t-160 -59.69 -22.41 61.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.445 1.091 . . . . 71.04 109.62 -179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.646 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.26 -20.55 21.79 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 74.44 109.281 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . . . . . . . . . 75.3 mtp -93.92 -14.21 26.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 75.44 110.992 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.049 HG23 ' O ' ' A' ' 43' ' ' LEU . 38.7 t -86.51 -59.61 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 73.23 109.269 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.546 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -40.27 -29.94 0.09 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.13 . . . . 61.43 109.25 -179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.452 ' N ' ' CD2' ' A' ' 49' ' ' LEU . 0.1 OUTLIER -64.27 -58.54 6.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 73.45 109.289 -179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -40.16 -37.84 0.68 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.56 1.163 . . . . 70.44 109.282 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.886 HD21 HD23 ' A' ' 24' ' ' LEU . 4.0 mp -75.55 -50.66 14.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.57 1.169 . . . . 62.43 109.301 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 119.69 10.03 8.0 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.47 1.106 . . . . 62.12 110.956 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -117.7 77.19 1.12 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 0.786 . . . . 74.53 110.276 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.435 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.2 pt-20 -69.94 -18.54 63.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.531 1.144 . . . . 73.4 110.313 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.497 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -39.12 -29.58 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 64.03 110.394 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.435 ' N ' ' O ' ' A' ' 54' ' ' GLU . 0.2 OUTLIER -93.11 -45.02 8.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.48 1.112 . . . . 73.03 110.293 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.503 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.7 -41.44 6.77 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 55.13 109.321 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.432 ' HA ' HD12 ' A' ' 61' ' ' LEU . 75.6 mtp180 -60.5 -48.57 81.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.52 1.138 . . . . 62.42 110.307 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.497 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.83 -48.77 77.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 70.33 109.328 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.34 -48.82 79.34 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 72.11 110.0 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.913 HD22 ' O ' ' A' ' 70' ' ' ALA . 5.9 mt -57.73 -39.16 76.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 74.02 109.301 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -72.71 -14.01 61.47 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.467 1.105 . . . . 63.02 110.298 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -89.99 14.66 11.66 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.485 1.115 . . . . 62.0 109.275 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.869 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.3 mt -132.34 54.33 1.95 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 72.45 109.345 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -54.34 -24.21 18.44 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.519 1.137 . . . . 61.41 109.28 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.29 -48.15 12.39 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.458 1.099 . . . . 52.34 109.344 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -69.39 119.84 14.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 74.22 109.289 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.51 ' HB1' ' HB3' ' A' ' 89' ' ' PRO . . . -87.53 -15.1 38.45 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 52.54 109.308 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.821 ' O ' HG23 ' A' ' 73' ' ' VAL . 96.1 t -80.31 -20.49 11.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.468 1.105 . . . . 75.33 109.312 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.913 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -74.82 -66.16 0.78 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.48 1.113 . . . . 73.4 109.329 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 29.0 mtm-85 -48.93 -23.01 0.96 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.539 1.149 . . . . 71.21 110.3 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.97 HD23 HH21 ' A' ' 75' ' ' ARG . 0.6 OUTLIER -87.43 -37.04 17.36 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 63.53 109.322 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.822 HG21 HD11 ' A' ' 42' ' ' LEU . 4.1 t -65.35 -11.3 11.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.455 1.097 . . . . 64.13 109.338 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.803 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -77.52 -68.1 0.65 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.537 1.148 . . . . 60.3 109.286 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.97 HH21 HD23 ' A' ' 72' ' ' LEU . 5.3 ptt-85 -66.81 -7.81 24.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.536 1.148 . . . . 71.23 110.298 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.528 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.7 tp60 -87.98 -47.39 8.58 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.53 110.309 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 18.8 m-90 -107.74 -59.14 1.88 Allowed 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 107.97 -1.122 . . . . 74.42 107.97 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.803 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -43.62 -36.72 2.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 72.1 109.287 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.414 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 89.61 15.04 58.92 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.542 1.151 . . . . 72.52 110.974 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.553 HG12 ' N ' ' A' ' 81' ' ' ASP . 44.8 t -45.45 170.1 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.462 0.743 . . . . 74.22 109.318 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.553 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.6 OUTLIER -78.79 3.36 16.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.455 1.097 . . . . 62.34 109.341 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 88.3 p 55.69 52.17 11.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.517 1.136 . . . . 53.11 110.008 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 35.5 p -57.61 -16.22 9.76 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.516 1.135 . . . . 73.24 110.371 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.419 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 14.1 mt-10 -93.99 -161.14 0.82 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.484 1.115 . . . . 74.21 110.328 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 29.0 t0 -79.28 121.32 82.85 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 72.05 109.29 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 60.05 5.35 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.525 1.803 . . . . 64.24 111.007 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.8 mm-40 -135.49 -168.76 2.25 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 70.12 110.293 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 23.7 mt-10 -108.02 138.25 20.05 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 73.22 110.278 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.754 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -75.03 173.65 14.15 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.463 1.77 . . . . 61.04 110.992 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -4.31 15.21 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.531 1.806 . . . . 53.4 110.975 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.605 ' HB2' HG23 ' A' ' 69' ' ' VAL . 35.9 m-20 -116.8 22.72 12.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.558 1.161 . . . . 75.53 109.321 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -42.46 -37.22 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 1.112 . . . . 31.43 109.314 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' VAL . 0.2 OUTLIER -105.96 -41.25 5.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.515 1.134 . . . . 73.43 110.028 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.029 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.5 t90 -44.82 -55.92 4.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 62.21 108.026 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.799 ' HB3' HG11 ' A' ' 69' ' ' VAL . . . -50.03 -36.51 29.06 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.519 1.137 . . . . 63.12 109.338 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.471 ' CG2' ' HG ' ' A' ' 8' ' ' LEU . 7.5 t -71.8 -29.17 32.8 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.563 1.164 . . . . 65.31 109.299 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.715 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -72.64 -41.78 65.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.443 1.089 . . . . 72.24 109.285 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.52 ' HD2' ' CD1' ' A' ' 94' ' ' TRP . 1.3 mtt180 -78.15 -30.1 49.06 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 71.4 110.28 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.782 HD11 HD13 ' A' ' 43' ' ' LEU . 4.2 tp -69.77 -39.73 76.49 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.535 1.147 . . . . 74.13 109.291 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.97 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 6.2 m-85 -77.92 -22.57 49.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.525 1.141 . . . . 73.12 111.024 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -60.82 -25.22 66.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 73.52 109.579 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.527 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 1.6 mt -92.7 -43.12 9.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.541 1.151 . . . . 71.21 109.288 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.869 HD22 HD12 ' A' ' 108' ' ' LEU . 95.1 mt -62.45 -17.57 59.73 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.496 1.123 . . . . 50.32 109.307 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.26 -18.04 61.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.529 1.143 . . . . 64.05 109.292 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.2 mt-10 -99.9 -30.05 12.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 71.43 110.294 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 24.5 mm-40 -67.4 -17.43 64.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 52.2 110.273 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt 79.2 41.25 0.09 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 54.2 109.296 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.869 HD12 HD22 ' A' ' 103' ' ' LEU . 43.6 mt -111.59 -36.94 5.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.564 1.165 . . . . 75.44 109.294 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.434 ' HB2' HD12 ' A' ' 113' ' ' LEU . 2.1 p -138.12 151.3 69.58 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.457 1.098 . . . . 41.45 108.286 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 158.03 42.35 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.563 1.823 . . . . 70.22 110.99 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -64.54 -12.23 42.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 52.24 109.295 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.436 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.2 m -63.57 -45.21 91.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 70.55 109.962 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.434 HD12 ' HB2' ' A' ' 109' ' ' CYS . 24.7 mt -60.63 -38.11 83.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 72.43 109.304 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.591 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -57.2 -28.41 62.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 71.31 110.31 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.597 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -81.96 -64.93 1.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 1.131 . . . . 72.52 109.307 179.974 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.461 HG12 ' OE2' ' A' ' 120' ' ' GLU . 21.2 t -40.23 -40.08 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.47 1.106 . . . . 72.21 109.324 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -63.88 -58.82 5.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 64.21 109.325 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.724 ' O ' HG12 ' A' ' 122' ' ' VAL . 3.6 m-85 -47.93 -40.82 23.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.121 . . . . 73.34 111.024 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.56 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 83.6 mt-30 -57.17 -37.93 72.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.435 1.084 . . . . 55.33 110.285 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.461 ' OE2' HG12 ' A' ' 116' ' ' VAL . 5.7 mt-10 -75.82 -8.31 56.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 64.34 110.354 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.536 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -99.4 -36.67 9.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.541 1.151 . . . . 73.22 109.32 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.724 HG12 ' O ' ' A' ' 118' ' ' TYR . 1.8 p -80.85 -35.63 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.548 1.155 . . . . 74.2 109.283 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.479 ' CD ' ' C ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -68.95 -28.6 66.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.102 . . . . 75.21 110.331 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.51 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.2 t -85.39 -37.52 19.76 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 71.55 110.419 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.562 HD22 HD22 ' A' ' 136' ' ' LEU . 4.9 mp -79.03 -25.01 43.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 72.14 109.292 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.436 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.6 m -74.38 -44.28 52.85 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 61.12 109.994 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 23.1 t -59.96 -43.06 95.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 74.01 110.04 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.438 ' NH2' ' OD2' ' A' ' 130' ' ' ASP . 0.9 OUTLIER -94.93 2.15 55.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.449 1.093 . . . . 73.03 110.327 179.943 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 41.28 52.94 3.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 72.33 109.328 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.438 ' OD2' ' NH2' ' A' ' 128' ' ' ARG . 20.2 t0 -56.28 157.14 5.08 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 71.35 109.281 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.9 p-80 -71.44 -9.05 57.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 74.43 109.568 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -110.51 11.06 23.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 72.44 110.315 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.835 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.8 OUTLIER -61.85 -65.75 0.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 71.32 109.322 179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.835 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -53.15 -29.89 37.6 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.49 1.118 . . . . 71.21 110.976 -179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -70.35 -33.24 71.23 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.522 0.778 . . . . 71.23 110.304 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.029 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.4 tp -75.36 -39.62 59.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.539 1.15 . . . . 75.2 109.309 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.834 HE21 HD22 ' A' ' 133' ' ' LEU . 13.1 mm-40 -63.97 -18.41 64.24 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 70.21 110.328 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -102.65 -4.69 24.76 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 73.44 109.315 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.476 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.7 tt0 -98.88 -47.09 5.41 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.146 . . . . 73.3 110.329 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.08 -18.06 65.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 70.3 109.297 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.547 ' NH1' ' HB3' ' A' ' 149' ' ' ALA . 22.4 mtm180 -92.45 -60.98 1.7 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.533 1.146 . . . . 75.43 110.289 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 35.2 t-20 -50.67 -22.49 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 1.121 . . . . 72.15 109.337 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.4 mmp_? -86.93 -78.89 0.28 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.527 1.142 . . . . 74.42 110.283 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -61.5 -55.98 25.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 65.55 108.342 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.26 68.8 0.84 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.538 1.149 . . . . 61.44 111.01 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.868 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.37 -171.17 3.86 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 108.0 -1.111 . . . . 65.44 108.0 -179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -114.14 61.46 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 52.2 109.299 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.868 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 2.8 tt -70.37 -35.03 60.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.111 . . . . 73.24 109.285 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.744 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.59 -21.93 4.44 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 52.52 109.289 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 107.63 -8.85 37.55 Favored Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.503 1.127 . . . . 44.52 111.002 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -50.07 149.77 4.74 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.501 0.765 . . . . 64.13 109.265 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -2.41 12.5 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.505 1.792 . . . . 72.15 111.018 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 94.24 3.89 63.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.481 1.113 . . . . 62.41 111.022 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 t 67.4 54.33 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 0.745 . . . . 60.31 109.97 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 10.3 pt -121.26 115.17 45.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.472 1.108 . . . . 62.55 109.326 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 15.9 mmm180 . . . . . 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 72.41 110.323 179.985 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.276 0 N-CA-C 109.589 -0.523 . . . . 73.41 109.589 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.49 ' O ' ' HB3' ' A' ' 2' ' ' ALA . 25.9 mtm -82.08 121.63 26.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 72.41 111.033 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.49 ' HB3' ' O ' ' A' ' 1' ' ' MET . . . 71.63 36.98 1.16 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 73.41 109.325 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.9 t -78.74 -42.7 27.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 75.23 108.297 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 76.1 p -64.28 -174.39 0.12 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 74.42 110.388 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -110.45 -97.99 2.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.517 1.135 . . . . 63.52 111.0 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.523 ' CD ' HD12 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.95 -171.16 0.9 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.487 1.782 . . . . 73.0 111.028 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.417 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 0.8 OUTLIER -173.63 171.22 3.89 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.46 1.1 . . . . 73.44 109.998 -179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.991 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -73.39 -49.84 6.52 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.546 1.154 . . . . 63.12 109.295 -179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.554 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -19.71 17.59 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.462 1.769 . . . . 75.3 110.973 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 39.1 t -59.46 -40.92 88.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.516 1.135 . . . . 64.53 109.982 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.626 ' HB1' HD11 ' A' ' 103' ' ' LEU . . . -66.98 -35.67 80.48 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.525 1.141 . . . . 62.42 109.276 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.798 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -65.08 -35.85 82.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 1.134 . . . . 71.24 110.995 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.3 t70 -71.51 -28.19 63.73 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 74.42 109.306 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.542 HD12 ' HA ' ' A' ' 11' ' ' ALA . 32.5 mt -78.04 -17.23 13.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 73.43 109.301 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.054 HD11 ' CD2' ' A' ' 43' ' ' LEU . 2.8 mt -73.37 -55.03 6.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.545 1.153 . . . . 65.22 109.317 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -68.69 -6.26 49.47 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.458 1.099 . . . . 54.02 111.01 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.38 -21.91 12.95 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 52.32 109.299 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.885 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -57.92 -71.81 0.1 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 42.22 109.308 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.499 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 173.53 139.26 2.85 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.522 1.139 . . . . 74.05 110.993 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.8 tp60 -39.78 -61.34 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 0.791 . . . . 64.4 110.317 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -66.74 -24.05 66.18 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.507 1.13 . . . . 72.31 109.319 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.885 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.9 tptm -61.54 -16.19 45.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 61.2 109.327 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.957 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.3 mt -92.4 -52.37 4.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.11 . . . . 74.03 109.281 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.53 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.7 mm? -55.48 -51.89 65.46 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.119 . . . . 74.11 109.305 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.619 ' CE2' HD23 ' A' ' 26' ' ' LEU . 1.4 t80 -53.47 -69.88 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 73.15 110.997 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.619 HD23 ' CE2' ' A' ' 25' ' ' TYR . 62.1 mt -43.11 -45.22 5.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 71.35 109.338 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.646 ' NZ ' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -54.15 -54.96 32.5 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.462 1.101 . . . . 73.23 109.283 179.997 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.646 ' CE1' ' NZ ' ' A' ' 27' ' ' LYS . 96.7 m-70 -64.39 -11.9 37.5 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.5 1.125 . . . . 61.12 109.622 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -88.47 -38.26 15.14 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.546 1.154 . . . . 75.5 109.297 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.642 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.7 mt -71.89 -20.52 61.78 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.527 1.142 . . . . 73.14 109.331 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.469 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 39.7 mmtt -38.3 -42.89 0.75 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 74.42 109.317 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.1 m -99.32 109.27 54.1 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 72.22 110.396 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 140.56 25.56 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.468 1.773 . . . . 74.43 110.992 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -90.48 168.89 13.14 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.436 1.085 . . . . 70.14 110.328 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 106.15 2.22 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.518 1.799 . . . . 71.0 110.97 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 86.78 16.66 61.14 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.503 1.127 . . . . 73.31 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.7 116.57 9.36 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.268 -1.012 . . . . 71.15 108.268 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.85 -6.64 9.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 74.52 110.277 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.7 -35.28 2.64 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.444 1.09 . . . . 72.4 111.002 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.592 ' CG ' HD22 ' A' ' 30' ' ' LEU . 1.8 tt0 -66.08 -63.14 1.15 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.472 0.748 . . . . 61.01 110.334 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.82 ' HB3' HD11 ' A' ' 64' ' ' LEU . 6.2 t70 -48.95 -40.24 29.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.528 1.142 . . . . 75.2 109.304 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.031 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -57.83 -55.19 38.04 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.514 1.134 . . . . 64.35 109.282 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.054 ' CD2' HD11 ' A' ' 15' ' ' LEU . 2.3 mt -58.13 -34.21 70.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 72.11 109.311 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.57 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.9 t-160 -57.32 -20.88 31.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.484 1.115 . . . . 72.03 109.556 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.544 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -91.24 -20.17 22.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 64.23 109.302 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.6 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 38.7 mtp -98.6 -14.04 20.1 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.133 . . . . 74.44 110.975 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.97 HG23 ' O ' ' A' ' 43' ' ' LEU . 41.3 t -85.44 -50.69 14.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.432 1.082 . . . . 74.24 109.331 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.549 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.7 OUTLIER -43.85 -48.5 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 61.41 109.255 -179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.584 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.3 mt -50.94 -51.48 51.91 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.483 1.114 . . . . 63.11 109.296 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.957 ' HB3' HD13 ' A' ' 23' ' ' LEU . 1.1 mmmt -41.23 -29.26 0.13 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 71.3 109.297 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.647 HD23 ' N ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -90.55 -43.21 10.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.558 1.161 . . . . 62.02 109.28 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.453 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 116.04 16.25 6.85 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.494 1.121 . . . . 60.02 111.001 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.579 ' NE2' HD12 ' A' ' 51' ' ' LEU . 0.6 OUTLIER -125.3 82.81 2.09 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 0.758 . . . . 75.14 110.289 -179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -76.95 -18.63 58.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.127 . . . . 71.11 110.318 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.499 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -37.99 -34.8 0.13 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 60.12 110.378 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 59' ' ' ILE . 20.1 mp0 -88.73 -46.77 8.73 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 75.24 110.314 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.528 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -41.49 -35.77 0.76 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 74.11 109.268 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.45 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.4 mtp180 -69.07 -50.07 51.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 74.44 110.306 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.499 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -55.55 -39.67 55.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.451 1.095 . . . . 72.24 109.295 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.661 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 2.9 p -66.08 -50.9 62.5 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.125 . . . . 74.13 110.031 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.74 HD21 HG12 ' A' ' 73' ' ' VAL . 8.9 mt -53.03 -46.41 68.43 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.495 1.122 . . . . 65.43 109.344 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.497 ' OE1' ' CD ' ' A' ' 65' ' ' LYS . 4.1 tp10 -64.29 -18.23 64.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 74.55 110.32 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.661 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -72.75 -5.37 37.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 52.22 109.286 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.82 HD11 ' HB3' ' A' ' 41' ' ' ASP . 3.6 mt -119.98 51.45 1.19 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 1.152 . . . . 64.42 109.311 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.497 ' CD ' ' OE1' ' A' ' 62' ' ' GLU . 5.9 mmmt -50.11 -24.64 2.85 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 74.45 109.269 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.49 -44.15 17.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.539 1.149 . . . . 72.31 109.322 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.426 ' HB2' ' CB ' ' A' ' 64' ' ' LEU . 11.1 m-20 -72.26 107.4 4.87 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 74.02 109.282 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.481 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -72.72 -5.25 36.45 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.514 1.134 . . . . 63.45 109.331 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.827 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.6 t -78.37 -40.22 24.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.463 1.102 . . . . 73.44 109.305 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.81 ' HB2' HD12 ' A' ' 64' ' ' LEU . . . -61.53 -57.98 9.94 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.493 1.121 . . . . 75.43 109.288 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.447 ' NH2' ' O ' ' A' ' 65' ' ' LYS . 0.0 OUTLIER -50.21 -28.09 7.0 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.531 1.144 . . . . 73.42 110.331 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.785 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -88.15 -29.65 20.4 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 64.45 109.325 179.97 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.031 HG21 HD11 ' A' ' 42' ' ' LEU . 3.4 t -79.69 -6.71 9.8 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.521 1.138 . . . . 74.14 109.305 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.076 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -82.05 -36.65 27.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 70.14 109.304 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.501 HH21 HD23 ' A' ' 72' ' ' LEU . 5.8 ptt-85 -99.03 -5.37 30.5 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.548 1.155 . . . . 74.0 110.318 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.531 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 2.5 tp-100 -86.82 -48.46 8.19 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.449 1.093 . . . . 54.44 110.258 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.991 ' CH2' HD22 ' A' ' 8' ' ' LEU . 26.5 m-90 -109.47 -62.48 1.49 Allowed 'General case' 0 C--N 1.325 -0.472 0 N-CA-C 108.015 -1.106 . . . . 74.13 108.015 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.076 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.89 -28.71 0.17 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.484 1.115 . . . . 61.32 109.294 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.42 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.06 18.47 74.64 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.529 1.143 . . . . 40.5 110.963 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.735 HG23 ' O ' ' A' ' 74' ' ' ALA . 50.1 t -44.63 168.11 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.48 0.753 . . . . 73.12 109.27 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.526 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.8 OUTLIER -81.68 24.02 0.62 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 62.24 109.282 179.976 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.456 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 70.9 p 38.26 50.49 1.44 Allowed 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.547 1.154 . . . . 73.22 110.007 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 47.4 p -48.18 -22.78 0.7 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.511 1.132 . . . . 71.03 110.393 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -86.84 -163.12 0.86 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.483 1.114 . . . . 75.43 110.334 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.16 157.68 36.44 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.524 1.14 . . . . 72.14 109.293 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 82.32 2.03 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.461 1.769 . . . . 70.24 110.983 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -144.86 117.17 8.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 73.32 110.271 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.412 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 10.5 mt-10 -60.03 141.92 89.62 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.128 . . . . 52.23 110.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.481 ' HB3' ' CB ' ' A' ' 68' ' ' ALA . 18.3 Cg_endo -75.0 171.89 17.45 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.462 1.77 . . . . 74.04 111.022 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 -22.09 15.26 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.515 1.798 . . . . 74.41 111.009 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.446 ' OD2' ' NH1' ' A' ' 98' ' ' ARG . 94.3 m-20 -104.5 26.76 8.6 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.508 1.13 . . . . 71.43 109.24 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.493 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -42.35 -41.43 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.52 1.138 . . . . 65.25 109.312 179.986 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.444 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.9 m -104.55 -40.84 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 62.12 109.966 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.034 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -43.16 -54.6 4.37 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.007 -1.109 . . . . 74.44 108.007 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.827 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -56.3 -39.99 73.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 63.21 109.34 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG22 ' HG ' ' A' ' 8' ' ' LEU . 40.8 t -64.01 -23.26 32.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 75.44 109.294 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -86.5 -40.63 15.09 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 63.42 109.334 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.446 ' NH1' ' OD2' ' A' ' 91' ' ' ASP . 13.5 mtt180 -71.18 -23.12 61.98 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 65.43 110.327 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.689 ' CD2' HD11 ' A' ' 43' ' ' LEU . 6.8 tt -74.4 -52.56 11.74 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.21 109.284 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.522 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.5 m-85 -62.49 -28.11 69.6 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.492 1.12 . . . . 63.44 111.026 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 4.5 t60 -53.67 -20.98 6.04 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.52 1.138 . . . . 71.55 109.579 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.559 HD11 ' N ' ' A' ' 40' ' ' GLN . 2.1 mt -97.13 -25.86 15.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.443 1.09 . . . . 75.11 109.29 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.755 HD23 ' OE2' ' A' ' 106' ' ' GLU . 85.0 mt -70.52 -16.17 62.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.44 1.087 . . . . 71.45 109.327 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -89.31 -1.81 58.21 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 1.105 . . . . 74.1 109.328 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -99.54 -18.49 17.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.476 1.11 . . . . 61.14 110.276 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.755 ' OE2' HD23 ' A' ' 103' ' ' LEU . 2.1 pt-20 -107.21 -6.04 17.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 74.03 110.316 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.3 mmmm 74.45 24.27 1.82 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.495 1.122 . . . . 74.22 109.315 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.651 HD21 ' NZ ' ' A' ' 22' ' ' LYS . 19.0 mt -80.56 -27.21 37.57 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.486 1.116 . . . . 74.51 109.334 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.67 ' SG ' HD23 ' A' ' 113' ' ' LEU . 0.4 OUTLIER -157.76 143.17 12.35 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 75.54 108.313 179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.417 ' HD2' ' SG ' ' A' ' 109' ' ' CYS . 18.2 Cg_endo -75.03 148.18 34.82 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.516 1.798 . . . . 63.1 110.987 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.57 ' HB2' HH21 ' A' ' 114' ' ' ARG . . . -50.35 -22.78 1.97 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 63.13 109.317 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 111' ' ' ALA . 3.5 m -38.76 -46.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.121 . . . . 43.1 110.001 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.67 HD23 ' SG ' ' A' ' 109' ' ' CYS . 2.0 mm? -70.13 -54.48 12.8 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.511 1.132 . . . . 74.43 109.259 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.601 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.0 ttp180 -38.52 -29.71 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.503 1.127 . . . . 65.45 110.302 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.601 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.4 OUTLIER -78.81 -69.56 0.56 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.463 1.102 . . . . 71.25 109.31 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.407 ' C ' ' O ' ' A' ' 115' ' ' ASP . 55.2 t -39.41 -47.1 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 73.01 109.294 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.477 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -55.75 -63.49 1.16 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.443 1.09 . . . . 74.31 109.272 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.601 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.8 m-85 -43.26 -43.85 5.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.516 1.135 . . . . 61.32 110.962 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -53.06 -49.84 65.54 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 54.14 110.286 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -60.7 -16.94 44.68 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 73.12 110.331 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.492 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.92 -17.93 15.27 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 75.44 109.327 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.693 HG13 ' OE1' ' A' ' 137' ' ' GLN . 13.5 t -85.04 -31.24 6.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 75.44 109.301 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.3 OUTLIER -83.54 -29.79 27.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 73.51 110.311 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.548 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.8 t -68.61 -38.33 80.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.535 1.147 . . . . 74.22 110.423 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.824 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -78.28 -32.91 49.71 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 74.51 109.366 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 32.6 t -68.4 -48.21 65.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 72.11 110.001 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 10.5 t -55.56 -52.89 62.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 61.2 109.96 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.433 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.0 OUTLIER -86.91 3.17 46.68 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.47 1.106 . . . . 71.3 110.261 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.456 ' N ' ' O ' ' A' ' 125' ' ' LEU . 9.2 m-20 40.1 47.97 2.12 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 71.24 109.298 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.436 ' OD2' ' CG ' ' A' ' 132' ' ' ARG . 26.7 t0 -49.39 176.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 62.34 109.295 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 13.0 p80 -91.51 -2.57 57.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.47 1.106 . . . . 75.14 109.624 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.436 ' CG ' ' OD2' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -114.36 5.83 15.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 63.42 110.283 -179.963 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.803 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -53.2 -72.59 0.05 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 70.21 109.291 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.803 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.9 -31.75 8.15 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.515 1.135 . . . . 62.34 110.974 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -66.96 -35.89 80.98 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 0.751 . . . . 65.23 110.322 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.034 HD13 ' CE2' ' A' ' 94' ' ' TRP . 46.4 tp -74.1 -39.05 63.65 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 75.55 109.279 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.693 ' OE1' HG13 ' A' ' 122' ' ' VAL . 47.1 mm-40 -62.68 -17.18 60.14 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.46 1.1 . . . . 75.31 110.323 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -106.18 -18.02 14.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 64.2 109.287 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.407 ' O ' ' HG2' ' A' ' 143' ' ' ARG . 0.3 OUTLIER -84.95 -59.81 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.463 1.102 . . . . 75.5 110.317 -179.958 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.434 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -51.77 -20.82 2.36 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.497 1.123 . . . . 72.04 109.307 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 40.3 mtm180 -86.5 -58.72 2.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 65.32 110.36 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 6.5 t-20 -50.68 -22.58 2.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 64.31 109.28 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.407 ' HG2' ' O ' ' A' ' 139' ' ' GLU . 5.7 mmp_? -83.6 -78.7 0.22 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.553 1.158 . . . . 74.44 110.279 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.52 -55.57 17.1 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 72.21 108.34 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.487 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.28 65.28 0.74 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.477 1.111 . . . . 61.52 111.011 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.92 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -147.33 -169.21 3.26 Favored 'General case' 0 C--N 1.325 -0.467 0 N-CA-C 108.004 -1.109 . . . . 72.33 108.004 -179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -115.88 61.9 0.7 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.514 1.134 . . . . 72.35 109.298 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.92 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.2 tt -70.4 -22.8 24.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 74.25 109.306 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.597 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -56.32 -24.74 45.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 33.21 109.309 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 98.82 -3.31 58.8 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.514 1.134 . . . . 51.12 111.035 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -54.33 164.06 1.14 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.475 0.75 . . . . 72.03 109.325 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 -1.44 11.23 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.511 1.795 . . . . 70.34 111.024 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 95.79 24.85 14.39 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.477 1.111 . . . . 61.55 111.014 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 3.1 m 57.24 34.44 24.78 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.489 0.758 . . . . 63.43 109.967 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 4.7 mm -46.23 153.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 64.32 109.307 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 73.24 110.291 179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 17.2 m170 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.594 -0.521 . . . . 74.21 109.594 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 15.7 mmt -97.58 85.89 3.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.537 1.148 . . . . 71.04 111.013 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.87 100.92 9.03 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 75.32 109.335 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 3.2 m -96.78 24.42 6.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.537 1.148 . . . . 71.44 108.327 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 97.1 m -121.5 142.46 50.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.472 1.107 . . . . 54.14 110.424 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -95.79 -88.51 1.77 Allowed Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.484 1.115 . . . . 45.14 110.95 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.534 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -163.09 0.17 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.559 1.82 . . . . 75.03 110.993 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.44 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 2.9 t -179.77 170.98 1.21 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 74.22 110.047 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 1.021 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -61.01 -50.6 84.05 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 75.52 109.348 179.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.533 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.96 -34.87 3.54 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.5 1.79 . . . . 71.05 111.057 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 16.2 t -43.92 -47.2 8.4 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.447 1.092 . . . . 73.33 109.993 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.917 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.49 -38.13 83.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 75.31 109.278 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.626 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -66.02 -35.94 81.92 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.51 1.131 . . . . 75.15 111.005 179.988 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -71.06 -30.47 66.63 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.481 1.113 . . . . 73.41 109.248 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.764 HD12 ' HA ' ' A' ' 11' ' ' ALA . 10.6 mt -75.16 -19.2 16.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 64.11 109.319 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 43' ' ' LEU . 0.4 OUTLIER -71.22 -57.18 4.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.517 1.136 . . . . 71.25 109.328 179.968 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.453 ' CA ' ' HE2' ' A' ' 50' ' ' LYS . . . -65.06 -10.8 48.85 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.441 1.088 . . . . 71.42 110.978 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -106.02 19.34 20.69 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 0.749 . . . . 74.21 109.324 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.881 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.93 -76.27 0.55 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.517 1.136 . . . . 72.11 109.282 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.458 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 176.52 136.01 2.29 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.507 1.129 . . . . 61.33 110.993 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 38.2 tp60 -37.76 -55.31 1.18 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 0.79 . . . . 74.4 110.34 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -66.81 -38.84 87.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.125 . . . . 65.23 109.335 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.881 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 5.1 tptm -46.21 -31.47 2.47 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 54.4 109.31 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.515 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -75.96 -68.46 0.58 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.535 1.147 . . . . 73.2 109.298 -179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.481 ' CD2' HD13 ' A' ' 51' ' ' LEU . 94.1 mt -39.91 -58.32 1.42 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.103 . . . . 73.31 109.342 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.595 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -46.5 -72.73 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 71.23 111.008 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.595 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 10.8 mt -39.15 -57.11 1.37 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 73.05 109.317 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.675 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.2 OUTLIER -43.98 -66.97 0.32 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.147 . . . . 70.41 109.306 -179.994 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.427 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 93.7 m-70 -54.58 -20.02 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 74.03 109.576 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.506 ' HG3' HD23 ' A' ' 30' ' ' LEU . 1.2 tptm -84.66 -27.53 27.03 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.093 . . . . 71.14 109.291 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.599 HD22 ' CG ' ' A' ' 40' ' ' GLN . 4.2 mt -81.34 -24.81 36.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.423 1.077 . . . . 75.44 109.27 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.427 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 27.6 mmtt -38.34 -32.71 0.08 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.142 . . . . 61.54 109.302 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.437 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.0 OUTLIER -102.81 107.07 53.32 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.457 1.098 . . . . 72.21 110.422 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 136.8 20.9 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.506 1.792 . . . . 72.53 111.055 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 1.4 mtp85 -83.39 167.78 26.65 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 61.23 110.3 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 108.65 2.77 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.474 1.776 . . . . 71.33 110.998 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 74.02 36.67 51.3 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.48 1.112 . . . . 72.4 110.978 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -104.1 126.19 51.02 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.268 -1.012 . . . . 73.12 108.268 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.84 -0.08 7.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.23 110.278 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.26 -27.38 7.75 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.522 1.139 . . . . 72.32 111.025 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.599 ' CG ' HD22 ' A' ' 30' ' ' LEU . 4.6 tt0 -79.98 -54.89 5.38 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 0.76 . . . . 71.43 110.275 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.867 ' CB ' HD21 ' A' ' 64' ' ' LEU . 9.8 t0 -55.07 -40.57 70.48 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.507 1.13 . . . . 74.24 109.298 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.679 ' CD2' HG11 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -60.65 -52.88 63.25 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.511 1.132 . . . . 72.14 109.311 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.011 HD11 HD11 ' A' ' 15' ' ' LEU . 15.0 tp -57.53 -29.04 64.04 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 1.111 . . . . 75.32 109.26 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.594 ' HA ' HD12 ' A' ' 30' ' ' LEU . 7.9 t-160 -57.65 -32.87 67.7 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.477 1.111 . . . . 72.23 109.598 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.511 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -81.19 -27.88 35.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 71.55 109.234 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.616 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 57.8 mtp -85.57 -8.26 58.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 63.21 110.955 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.951 HG23 ' O ' ' A' ' 43' ' ' LEU . 89.8 t -94.37 -51.84 10.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 75.3 109.276 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.563 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.3 mm? -42.11 -45.81 4.1 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 71.44 109.325 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.606 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.3 mt -53.24 -49.73 66.24 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.509 1.13 . . . . 54.41 109.287 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.492 ' C ' HD23 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -40.21 -30.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 74.02 109.326 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.69 HD12 ' NE2' ' A' ' 53' ' ' GLN . 0.4 OUTLIER -95.18 -42.4 8.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 74.11 109.298 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.91 16.34 7.43 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.507 1.129 . . . . 35.02 111.011 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.69 ' NE2' HD12 ' A' ' 51' ' ' LEU . 1.2 pt20 -118.05 71.39 0.82 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.486 0.756 . . . . 60.15 110.298 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -70.03 -17.64 63.27 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.486 1.117 . . . . 74.24 110.309 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.489 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.0 -35.57 0.16 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.438 1.087 . . . . 75.52 110.438 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' O ' ' N ' ' A' ' 59' ' ' ILE . 16.6 mp0 -87.48 -44.41 11.33 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 74.31 110.322 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.577 ' O ' HD12 ' A' ' 61' ' ' LEU . . . -43.63 -35.72 1.87 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 70.15 109.273 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 70.6 mtp180 -69.05 -44.29 72.92 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.551 1.157 . . . . 74.23 110.279 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.489 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.5 mp -61.38 -55.11 26.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.141 . . . . 73.43 109.298 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -53.14 -48.28 68.04 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.518 1.136 . . . . 72.25 110.027 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.827 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.9 mt -54.71 -48.48 72.44 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.11 . . . . 74.21 109.328 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -65.06 -15.76 62.71 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.519 1.137 . . . . 75.02 110.293 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.04 18.19 7.07 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.464 1.103 . . . . 63.53 109.259 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.867 HD21 ' CB ' ' A' ' 41' ' ' ASP . 28.3 mt -125.07 54.61 1.42 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 60.42 109.264 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.506 ' C ' HH21 ' A' ' 71' ' ' ARG . 17.0 mtpp -64.9 -12.4 48.7 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 73.44 109.287 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -97.18 17.21 17.71 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 1.1 . . . . 63.25 109.295 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.454 ' O ' ' NE ' ' A' ' 71' ' ' ARG . 3.5 t0 -148.19 136.16 21.02 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.477 1.111 . . . . 60.34 109.314 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.57 -28.99 16.41 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.495 1.122 . . . . 34.42 109.297 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.802 HG11 ' HB2' ' A' ' 95' ' ' ALA . 4.4 m -62.41 -34.34 64.01 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.544 1.152 . . . . 72.31 109.281 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.827 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -66.78 -7.9 24.56 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.529 1.143 . . . . 64.42 109.309 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.506 HH21 ' C ' ' A' ' 65' ' ' LYS . 6.0 mmt85 -98.47 -32.74 11.32 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.492 1.12 . . . . 64.14 110.308 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.782 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.5 OUTLIER -84.08 -29.16 27.04 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.521 1.138 . . . . 73.12 109.271 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.68 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 28.2 t -76.58 -6.09 8.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 73.22 109.327 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.019 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.22 -38.17 17.9 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.491 1.119 . . . . 72.2 109.306 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.782 ' NH2' HD23 ' A' ' 72' ' ' LEU . 5.2 ptt-85 -97.93 -6.22 32.68 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 75.13 110.309 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.534 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.1 tp-100 -88.77 -45.02 10.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 65.15 110.327 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 1.021 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.8 m-90 -109.11 -59.65 1.86 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 73.25 108.03 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.019 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.46 -31.94 47.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.535 1.147 . . . . 73.12 109.314 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.429 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 61.8 42.51 99.75 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.501 1.126 . . . . 61.11 110.978 179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.61 HG23 ' N ' ' A' ' 81' ' ' ASP . 19.4 m -61.16 -138.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.517 0.775 . . . . 74.12 109.319 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.61 ' N ' HG23 ' A' ' 80' ' ' VAL . 4.7 t0 -113.73 32.77 5.6 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.497 1.123 . . . . 60.45 109.304 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.455 ' C ' ' O ' ' A' ' 81' ' ' ASP . 33.5 p 35.38 43.41 0.14 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.521 1.138 . . . . 73.25 109.99 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 20.5 p -43.71 -26.29 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 61.31 110.424 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.428 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 5.9 mm-40 -90.71 -162.91 0.95 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 1.145 . . . . 74.33 110.338 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -94.5 146.93 32.37 Favored Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 55.33 109.286 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 56.94 4.41 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.458 1.767 . . . . 64.44 111.012 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -135.29 167.54 20.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.474 1.108 . . . . 71.33 110.283 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 0.3 OUTLIER -89.21 141.32 29.11 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.453 1.095 . . . . 71.32 110.29 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.575 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.3 Cg_endo -74.99 173.75 13.98 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.541 1.811 . . . . 55.4 111.003 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.11 18.9 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.482 1.78 . . . . 62.02 111.007 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB3' ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -120.16 27.31 8.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.125 . . . . 63.15 109.301 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.418 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.8 OUTLIER -49.33 -43.69 17.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 73.22 109.303 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 3.1 m -104.66 -33.1 8.6 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 74.44 110.0 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.023 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.0 t90 -55.58 -59.37 4.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 75.11 108.061 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.802 ' HB2' HG11 ' A' ' 69' ' ' VAL . . . -42.81 -48.93 5.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 73.24 109.29 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.416 HG23 ' H ' ' A' ' 96' ' ' VAL . 21.2 t -49.02 -41.11 13.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.509 1.131 . . . . 75.12 109.293 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.765 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -71.83 -26.92 62.58 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.112 . . . . 73.43 109.309 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.512 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 7.0 mmt180 -79.72 -26.68 40.76 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 74.43 110.293 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.716 HD23 ' C ' ' A' ' 99' ' ' LEU . 3.3 tt -83.65 -55.39 4.3 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 75.24 109.289 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.917 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.5 m-85 -58.3 -19.87 38.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 63.14 111.021 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -67.65 -24.53 65.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 62.43 109.583 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.521 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.9 OUTLIER -93.81 -37.47 11.75 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.485 1.116 . . . . 74.24 109.269 -179.964 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.849 HD22 HD12 ' A' ' 108' ' ' LEU . 56.7 mt -62.87 -21.78 66.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 62.53 109.262 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.54 -13.02 61.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 70.1 109.332 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.67 -19.7 16.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.503 1.127 . . . . 71.12 110.259 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -91.65 -5.69 53.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 54.01 110.317 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 10.4 mmtp 68.02 42.4 1.84 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.516 1.135 . . . . 53.25 109.291 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.849 HD12 HD22 ' A' ' 103' ' ' LEU . 55.2 mt -105.92 -30.01 9.62 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 73.43 109.302 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 9.1 p -149.01 148.95 28.76 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.471 1.107 . . . . 44.44 108.271 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 150.41 38.41 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.471 1.774 . . . . 44.22 110.992 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -52.9 -21.23 4.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 71.13 109.278 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.944 ' O ' HG23 ' A' ' 116' ' ' VAL . 14.2 p -54.78 -44.21 73.5 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 63.52 110.0 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.411 ' CA ' ' HG3' ' A' ' 6' ' ' PRO . 13.1 mt -66.69 -31.92 72.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 65.1 109.336 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 1.7 ttp180 -67.17 -30.45 70.41 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.459 1.099 . . . . 63.34 110.308 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.555 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.2 OUTLIER -82.11 -48.22 11.61 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.559 1.162 . . . . 74.41 109.282 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.944 HG23 ' O ' ' A' ' 112' ' ' SER . 15.9 t -57.54 -36.79 55.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 72.51 109.318 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -68.52 -37.21 79.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 73.53 109.292 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.877 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.3 m-85 -69.3 -41.37 76.87 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 74.52 111.017 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.467 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.9 mt-30 -56.09 -45.89 79.23 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.543 1.152 . . . . 62.03 110.289 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -65.94 -12.8 57.48 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.547 1.154 . . . . 74.42 110.333 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.507 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -93.74 -33.18 13.71 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.448 1.093 . . . . 73.35 109.316 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.877 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -77.55 -29.79 16.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.493 1.12 . . . . 74.13 109.291 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -77.16 -32.89 56.52 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 64.34 110.34 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.461 ' CG2' HD13 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -76.26 -34.95 59.15 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 64.22 110.392 -179.987 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.568 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -82.91 -37.89 23.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 1.106 . . . . 75.22 109.314 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.495 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 46.3 t -70.42 -33.76 71.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.476 1.11 . . . . 71.11 110.003 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.6 t -68.68 -40.47 80.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 60.24 110.008 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.444 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.7 ptt85 -97.89 2.89 49.67 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 74.34 110.273 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.445 ' N ' ' O ' ' A' ' 125' ' ' LEU . 3.0 m-20 45.74 50.66 10.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.519 1.137 . . . . 73.12 109.321 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.45 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 19.1 t0 -54.98 174.92 0.07 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 70.23 109.324 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 12.1 p80 -93.76 -1.74 54.65 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 72.43 109.556 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -116.0 -1.3 12.54 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.13 110.248 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.556 HD23 ' CB ' ' A' ' 125' ' ' LEU . 3.0 tm? -47.23 -70.81 0.08 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.441 1.088 . . . . 43.45 109.324 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.514 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -46.39 -37.37 8.32 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.531 1.144 . . . . 64.44 111.003 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -64.36 -34.89 79.19 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 65.5 110.306 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.023 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.8 tp -72.21 -37.55 69.19 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.56 1.163 . . . . 74.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.575 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 44.9 mm-40 -64.87 -14.06 58.4 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 73.41 110.329 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -103.9 -23.91 13.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.514 1.134 . . . . 74.41 109.319 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.407 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.4 OUTLIER -76.19 -61.93 1.78 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.452 1.095 . . . . 73.35 110.334 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.565 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -51.34 -21.41 2.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 55.55 109.311 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.504 ' O ' ' N ' ' A' ' 145' ' ' GLY . 14.5 mtm180 -86.05 -62.78 1.44 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 62.52 110.297 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -49.15 -24.11 1.55 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.526 1.141 . . . . 73.25 109.258 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 5.5 mmp_? -84.07 -79.07 0.22 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.172 . . . . 74.22 110.258 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.573 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.98 -56.12 17.44 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 1.149 . . . . 74.13 108.307 -179.986 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.504 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.17 70.83 0.94 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.474 1.109 . . . . 53.33 111.049 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.993 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -151.56 -169.58 3.41 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 108.006 -1.109 . . . . 73.45 108.006 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . 0.47 ' OD1' ' CB ' ' A' ' 151' ' ' ASP . 2.2 m-20 -114.03 61.53 0.66 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.433 1.083 . . . . 73.33 109.266 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.993 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.7 tt -71.46 -34.79 54.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.511 1.132 . . . . 50.42 109.31 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.575 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.39 -29.57 0.15 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 63.41 109.285 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.419 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 124.43 -4.15 8.8 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.524 1.14 . . . . 61.53 110.995 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.47 ' CB ' ' OD1' ' A' ' 147' ' ' ASP . 0.3 OUTLIER -49.95 165.3 0.32 Allowed Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.54 0.788 . . . . 75.1 109.306 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 1.12 8.11 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.479 1.778 . . . . 44.31 110.961 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -83.97 14.1 45.38 Favored Glycine 0 CA--C 1.529 0.958 0 O-C-N 124.516 1.135 . . . . 45.45 110.979 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 7.5 t -109.06 11.17 25.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 70.24 109.94 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.526 HG22 ' N ' ' A' ' 156' ' ' ARG . 40.5 mt -117.09 168.03 9.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 74.43 109.291 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.526 ' N ' HG22 ' A' ' 155' ' ' ILE . 4.4 ptm180 . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.481 1.113 . . . . 75.21 110.29 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 7.1 t60 . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 109.586 -0.524 . . . . 73.25 109.586 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER 62.6 36.08 13.93 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 73.31 111.025 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.44 128.92 36.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.125 . . . . 64.42 109.324 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 20.3 p -103.21 72.81 1.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 44.4 108.308 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 10.9 t -69.06 177.57 2.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.462 1.101 . . . . 45.12 110.433 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.75 -85.76 0.06 OUTLIER Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.5 1.125 . . . . 65.11 111.041 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.837 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.97 -163.73 0.2 Allowed 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.491 1.785 . . . . 73.22 111.011 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.435 ' CB ' ' HD2' ' A' ' 9' ' ' PRO . 0.5 OUTLIER 178.18 152.82 0.3 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 60.13 109.973 -179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.635 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.1 OUTLIER -47.65 -50.87 49.0 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.514 1.133 . . . . 75.2 109.271 -179.974 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.535 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.91 -25.68 11.83 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.485 1.782 . . . . 73.22 111.015 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 9.4 t -51.13 -45.26 61.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.526 1.142 . . . . 71.41 110.031 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.25 -34.97 78.82 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.509 1.131 . . . . 62.41 109.332 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.72 -33.3 73.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 63.25 110.957 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -69.04 -48.83 61.9 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 73.23 109.271 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.742 HG21 ' SG ' ' A' ' 109' ' ' CYS . 5.9 mt -62.64 -24.18 34.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.542 1.151 . . . . 70.42 109.292 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.871 HD11 HD11 ' A' ' 43' ' ' LEU . 0.5 OUTLIER -61.18 -49.47 77.06 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.492 1.12 . . . . 73.23 109.313 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -72.24 -3.22 56.45 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.509 1.13 . . . . 71.13 110.975 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.69 15.99 21.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.484 0.755 . . . . 64.42 109.313 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.794 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -93.41 -69.73 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 62.21 109.303 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.454 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.9 134.65 1.69 Allowed Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.535 1.147 . . . . 72.14 110.993 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.1 tp60 -37.88 -55.33 1.21 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.459 0.74 . . . . 74.14 110.33 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.9 -38.58 86.52 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 63.41 109.263 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.794 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -48.37 -30.43 4.96 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.497 1.123 . . . . 63.24 109.271 -179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.493 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -75.7 -67.51 0.66 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.509 1.13 . . . . 71.32 109.274 -179.976 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.438 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 65.7 mt -39.4 -53.21 2.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.458 1.099 . . . . 62.03 109.319 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.585 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.1 OUTLIER -55.72 -73.01 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 65.12 110.978 179.98 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.585 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 11.6 mt -37.59 -61.96 0.57 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 74.43 109.307 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.876 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -42.03 -70.76 0.1 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 61.45 109.289 179.987 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.438 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 91.6 m-70 -52.76 -20.26 3.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 73.31 109.617 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.906 ' HG3' HD23 ' A' ' 30' ' ' LEU . 0.2 OUTLIER -78.77 -34.2 45.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 72.11 109.276 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.906 HD23 ' HG3' ' A' ' 29' ' ' LYS . 3.7 mt -71.07 -17.8 62.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.514 1.134 . . . . 74.11 109.3 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 30' ' ' LEU . 20.6 mmtt -39.41 -30.42 0.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.126 . . . . 71.02 109.306 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.632 HG22 ' NH1' ' A' ' 34' ' ' ARG . 3.1 m -112.46 95.45 31.73 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.508 1.13 . . . . 22.1 110.407 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.9 164.01 34.33 Favored 'Trans proline' 0 C--N 1.361 1.184 0 O-C-N 124.513 1.796 . . . . 72.54 110.997 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.632 ' NH1' HG22 ' A' ' 32' ' ' THR . 4.5 mmm180 -102.08 161.31 23.8 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 70.44 110.253 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 97.39 1.07 Allowed 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.472 1.775 . . . . 75.01 111.015 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 101.29 12.57 35.7 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.443 1.089 . . . . 53.42 110.97 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' ' CG ' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -86.31 128.48 34.93 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 108.292 -1.003 . . . . 61.33 108.292 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.22 2.73 5.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 72.44 110.33 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.498 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -101.08 -27.0 7.57 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.467 1.104 . . . . 61.31 111.023 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.51 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 8.0 tt0 -83.06 -60.17 2.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 0.781 . . . . 55.2 110.299 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.754 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.5 t0 -50.24 -43.21 52.93 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 75.13 109.309 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.646 HD11 HG21 ' A' ' 73' ' ' VAL . 21.6 tp -59.72 -56.12 25.8 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.12 . . . . 73.03 109.27 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.021 ' O ' HG23 ' A' ' 47' ' ' VAL . 12.1 tp -54.46 -30.69 53.67 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.454 1.097 . . . . 74.2 109.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.752 ' HA ' HD12 ' A' ' 30' ' ' LEU . 5.2 t-160 -55.6 -32.69 63.3 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 75.34 109.617 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.592 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -82.33 -23.66 35.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 64.24 109.322 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.619 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 74.6 mtp -87.25 -17.96 31.35 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 64.3 111.028 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 1.021 HG23 ' O ' ' A' ' 43' ' ' LEU . 21.2 t -86.49 -49.32 15.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 61.2 109.301 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.534 HD23 ' O ' ' A' ' 44' ' ' HIS . 0.8 OUTLIER -42.79 -39.39 2.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 73.4 109.3 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.578 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.5 mt -61.25 -47.33 86.56 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.483 1.115 . . . . 72.34 109.274 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.678 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 2.2 mmmp? -42.0 -28.68 0.18 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.433 1.083 . . . . 64.45 109.297 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.876 HD11 ' HE2' ' A' ' 27' ' ' LYS . 2.1 mt -93.13 -47.34 7.0 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.444 1.09 . . . . 52.52 109.277 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 123.85 2.75 8.58 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.49 1.119 . . . . 61.21 111.035 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.428 ' O ' HD12 ' A' ' 48' ' ' LEU . 3.0 pt20 -111.17 85.36 2.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 0.759 . . . . 75.31 110.256 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -80.68 -15.53 56.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 64.4 110.307 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.414 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -37.16 -35.44 0.11 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.463 1.102 . . . . 54.23 110.442 -179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 9.4 mp0 -86.68 -43.83 12.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 73.24 110.337 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.507 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -44.83 -37.6 3.97 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 63.45 109.34 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 75.5 mtp180 -62.76 -42.83 99.87 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.47 1.106 . . . . 73.3 110.271 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.1 mp -65.33 -60.86 2.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.501 1.126 . . . . 73.51 109.323 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.581 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.6 OUTLIER -42.84 -51.68 5.37 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.3 109.993 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.848 HD22 ' O ' ' A' ' 70' ' ' ALA . 15.6 mt -54.19 -48.95 70.4 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 73.52 109.314 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.6 tt0 -64.11 -12.25 37.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.499 1.124 . . . . 75.14 110.27 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -87.22 11.34 14.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 74.04 109.302 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.754 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.4 mt -135.67 54.37 1.92 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 73.54 109.291 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 29.6 mtpt -64.87 -13.37 56.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.504 1.127 . . . . 71.24 109.307 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.08 -13.68 52.43 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.481 1.113 . . . . 53.42 109.294 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -112.25 132.37 54.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 61.44 109.294 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.47 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -89.05 -1.79 58.26 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.492 1.12 . . . . 71.52 109.274 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.822 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.0 t -88.91 -38.52 11.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 O-C-N 124.507 1.129 . . . . 73.13 109.258 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.848 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.18 -36.81 85.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.484 1.115 . . . . 53.55 109.308 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 1.8 mtm-85 -76.29 -23.91 54.38 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 74.11 110.281 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.832 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -91.78 -20.76 21.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 72.02 109.284 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.814 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 6.6 t -85.93 -6.89 10.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.511 1.132 . . . . 73.2 109.293 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.015 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.95 -35.04 24.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 74.31 109.341 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.832 ' NH2' HD23 ' A' ' 72' ' ' LEU . 9.3 ptt-85 -98.55 -6.82 29.37 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.523 1.14 . . . . 74.3 110.277 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.516 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp-100 -88.79 -44.79 10.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.49 1.119 . . . . 72.52 110.356 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.814 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.5 m-90 -108.33 -59.46 1.86 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 74.03 107.987 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.015 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -54.79 -45.13 74.27 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 70.11 109.288 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 77.12 42.47 19.31 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.512 1.133 . . . . 73.42 111.036 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.661 HG23 ' H ' ' A' ' 82' ' ' SER . 26.5 m -61.28 -139.46 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.481 0.753 . . . . 71.44 109.26 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.532 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.2 t0 -103.85 17.61 23.74 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.494 1.121 . . . . 75.45 109.299 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.661 ' H ' HG23 ' A' ' 80' ' ' VAL . 49.1 p 37.08 59.54 1.09 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.516 1.135 . . . . 73.23 109.98 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 1.1 t -45.86 -24.0 0.34 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.43 1.082 . . . . 71.45 110.368 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.418 ' N ' ' C ' ' A' ' 82' ' ' SER . 4.6 mt-10 -95.62 -176.65 3.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.109 . . . . 74.32 110.235 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.437 ' CB ' ' CD ' ' A' ' 86' ' ' PRO . 0.0 OUTLIER -98.02 174.68 3.0 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 75.41 109.297 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.437 ' CD ' ' CB ' ' A' ' 85' ' ' ASP . 18.4 Cg_endo -74.98 82.55 1.98 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.452 1.764 . . . . 71.24 111.001 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -148.54 175.3 11.27 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 1.154 . . . . 72.45 110.34 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.407 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.7 mt-10 -114.79 141.74 27.27 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.519 1.137 . . . . 64.25 110.301 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.485 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.03 163.27 35.61 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.524 1.802 . . . . 54.24 110.969 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 0.45 8.86 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 73.43 110.998 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -117.5 27.44 9.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.525 1.141 . . . . 73.33 109.268 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 1.4 p -60.25 -38.32 76.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 71.44 109.304 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.46 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 6.7 t -101.32 -20.42 15.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 71.34 110.003 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.043 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.3 t90 -76.94 -63.33 1.38 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 73.01 108.011 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.822 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.75 -52.88 3.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.47 1.106 . . . . 53.43 109.235 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.553 HG13 ' N ' ' A' ' 97' ' ' ALA . 9.0 p -61.37 -53.87 42.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 71.12 109.32 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.553 ' N ' HG13 ' A' ' 96' ' ' VAL . . . -50.87 -26.7 6.15 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.536 1.148 . . . . 71.2 109.297 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.611 ' NE ' ' CD1' ' A' ' 94' ' ' TRP . 16.2 mtt180 -88.01 -31.77 19.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 1.098 . . . . 64.23 110.285 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.886 HD21 HD13 ' A' ' 43' ' ' LEU . 3.8 tt -66.57 -44.4 82.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.147 . . . . 74.12 109.306 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.9 m-85 -68.17 -24.46 64.97 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 72.12 110.975 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.552 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.5 t60 -60.71 -26.75 67.38 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 72.24 109.621 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 3.3 mt -89.24 -35.91 15.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 62.11 109.251 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . . . . . . . . . 46.8 mt -63.2 -19.99 65.01 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.495 1.122 . . . . 73.21 109.309 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -74.32 -13.41 60.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 72.45 109.296 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -99.38 -17.87 17.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 73.32 110.267 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -96.1 0.65 51.68 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 73.03 110.306 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 56.67 32.42 21.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 73.32 109.329 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 95.9 mt -97.73 -32.53 11.7 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 73.32 109.293 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.3 m -140.87 145.07 38.0 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 71.22 108.284 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 155.72 42.78 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.463 1.77 . . . . 52.15 110.989 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -62.91 -16.17 57.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.511 1.132 . . . . 62.12 109.347 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.627 ' O ' HG23 ' A' ' 116' ' ' VAL . 17.5 p -54.95 -34.31 63.14 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.479 1.112 . . . . 73.21 110.014 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.837 HD12 ' HB3' ' A' ' 6' ' ' PRO . 3.1 mm? -76.24 -36.87 58.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.543 1.152 . . . . 61.43 109.332 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.6 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 8.6 ttp180 -62.2 -24.91 67.49 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 74.34 110.268 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.613 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -83.58 -61.23 1.89 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.549 1.155 . . . . 70.22 109.315 179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.627 HG23 ' O ' ' A' ' 112' ' ' SER . 40.2 t -50.03 -38.94 15.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.488 1.118 . . . . 71.04 109.278 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.46 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -62.03 -61.93 2.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 63.02 109.299 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.815 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.0 m-85 -46.2 -46.98 17.88 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.534 1.146 . . . . 64.33 111.027 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.546 ' O ' HG22 ' A' ' 122' ' ' VAL . 85.2 mt-30 -49.94 -56.68 9.66 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 71.23 110.26 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -58.9 -14.36 8.87 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.503 1.127 . . . . 54.32 110.288 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.547 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -90.48 -34.63 15.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.508 1.13 . . . . 75.44 109.372 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.815 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -75.59 -28.33 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.148 . . . . 62.14 109.272 179.998 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -78.58 -29.0 45.93 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 73.21 110.278 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.45 ' CG2' HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -73.72 -45.35 52.63 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 73.33 110.41 -179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.605 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -75.48 -30.84 60.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 62.31 109.317 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.573 ' OG ' HD21 ' A' ' 133' ' ' LEU . 28.8 m -73.33 -47.98 38.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.108 . . . . 74.24 109.983 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 3.2 t -57.43 -41.91 81.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.512 1.132 . . . . 71.1 110.002 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.473 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -87.9 -7.36 57.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 74.23 110.289 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 58.4 m-20 53.23 41.12 32.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.543 1.152 . . . . 44.15 109.252 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.495 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 24.6 t0 -54.61 179.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.152 . . . . 73.44 109.294 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.4 p80 -98.25 -4.41 35.34 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 63.22 109.596 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.495 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.4 OUTLIER -109.72 10.03 24.81 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.477 1.111 . . . . 72.15 110.288 -179.996 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.694 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.7 tm? -61.1 -68.49 0.31 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 73.05 109.315 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.694 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.19 -33.6 15.51 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.463 1.102 . . . . 32.52 111.026 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -66.68 -35.01 79.12 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 63.12 110.297 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.043 HD13 ' CE2' ' A' ' 94' ' ' TRP . 36.4 tp -70.75 -41.5 71.69 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 71.51 109.263 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.715 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 41.5 mm-40 -62.63 -13.77 35.52 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 70.52 110.281 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 33.8 t70 -106.48 -5.18 19.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.506 1.129 . . . . 71.23 109.297 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 6.6 tt0 -99.29 -46.4 5.54 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.484 1.115 . . . . 64.41 110.276 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -67.67 -16.24 64.05 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.491 1.119 . . . . 73.43 109.318 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.485 ' O ' ' N ' ' A' ' 145' ' ' GLY . 45.6 mtm180 -91.67 -58.67 2.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 1.11 . . . . 73.32 110.262 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 10.5 t-20 -50.65 -22.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.496 1.122 . . . . 63.3 109.311 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.552 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 14.0 mmp_? -85.52 -78.97 0.25 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.443 1.089 . . . . 64.14 110.299 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.586 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.59 -55.48 23.38 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 63.12 108.303 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.485 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.78 67.82 0.8 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.474 1.109 . . . . 62.5 110.992 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.917 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.03 -170.79 3.74 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 107.99 -1.115 . . . . 74.15 107.99 -179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -114.74 61.99 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.451 1.094 . . . . 71.43 109.293 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.917 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.8 tt -68.14 -34.51 67.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 72.02 109.292 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.715 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -42.57 -30.52 0.36 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 71.05 109.318 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 115.02 -9.66 20.92 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.548 1.155 . . . . 44.42 111.003 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 1.1 p-10 -50.59 152.32 3.45 Favored Pre-proline 0 C--N 1.324 -0.515 0 O-C-N 124.538 0.787 . . . . 70.4 109.265 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 -0.71 10.3 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.489 1.784 . . . . 72.53 111.057 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 87.43 -3.21 86.58 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.11 . . . . 63.3 111.018 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t 68.95 36.94 2.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.541 0.789 . . . . 72.03 109.964 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 7.5 pt -111.9 130.24 65.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 73.24 109.276 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 3.3 mmp_? . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.545 1.153 . . . . 72.32 110.291 179.998 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 97.7 m-70 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.617 -0.512 . . . . 60.13 109.617 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 48.3 mtm -56.23 97.54 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.485 1.115 . . . . 65.14 111.049 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -168.71 113.91 0.6 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 72.2 109.326 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.6 t 74.69 37.22 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 64.3 108.321 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 71.2 p -87.21 133.83 33.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 1.15 . . . . 71.04 110.401 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -113.41 -88.27 1.67 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.481 1.113 . . . . 74.15 111.016 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.403 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -74.99 -163.53 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 62.13 111.016 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.9 t 179.85 174.94 0.82 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.495 1.122 . . . . 61.05 110.013 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.653 ' HG ' HG22 ' A' ' 96' ' ' VAL . 0.2 OUTLIER -68.93 -50.84 20.84 Favored Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.466 1.104 . . . . 63.44 109.318 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.527 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.93 -30.01 7.75 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.46 1.768 . . . . 62.31 110.981 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.42 ' HG ' ' HH ' ' A' ' 100' ' ' TYR . 38.1 t -47.17 -48.79 23.47 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.474 1.109 . . . . 70.31 110.002 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.909 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.03 -29.6 67.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.501 1.126 . . . . 63.11 109.27 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.792 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -77.72 -35.07 52.39 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 73.34 111.013 -179.995 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -70.36 -38.36 74.78 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 74.51 109.299 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 7.6 mt -69.97 -20.95 23.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.489 1.118 . . . . 64.22 109.285 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 43' ' ' LEU . 0.9 OUTLIER -69.35 -60.99 1.98 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.136 . . . . 70.23 109.321 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -62.12 -12.2 36.05 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.489 1.118 . . . . 74.31 111.004 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -99.91 17.44 20.88 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 62.43 109.291 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -102.93 -75.93 0.6 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.489 1.118 . . . . 72.0 109.27 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.793 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.35 137.93 2.65 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.494 1.121 . . . . 75.33 110.976 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 36.8 tp60 -43.22 -48.09 6.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 0.781 . . . . 73.33 110.292 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.1 p30 -76.15 -28.19 57.28 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 72.1 109.314 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 4.8 tptt -58.99 -25.96 64.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.125 . . . . 73.22 109.282 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.793 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.76 -54.68 4.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.534 1.146 . . . . 72.01 109.28 -179.966 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.776 HD23 HD22 ' A' ' 51' ' ' LEU . 75.7 mt -48.62 -41.38 30.87 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.444 1.09 . . . . 63.44 109.297 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.596 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.3 OUTLIER -60.79 -78.46 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.466 1.104 . . . . 75.21 111.012 179.953 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.596 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 56.0 mt -39.84 -38.48 0.68 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 64.41 109.29 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.536 ' HE3' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -53.5 -57.55 10.28 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.458 1.099 . . . . 74.11 109.267 -179.979 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 94.3 m-70 -62.44 -13.64 32.19 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 73.34 109.592 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -84.94 -40.42 17.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.469 1.106 . . . . 62.13 109.311 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.631 HD11 HD23 ' A' ' 43' ' ' LEU . 3.3 mt -68.03 -22.0 64.99 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.451 1.094 . . . . 70.24 109.297 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.442 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 34.5 mmtt -39.34 -31.02 0.07 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 62.42 109.324 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.2 m -115.45 92.07 31.27 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.519 1.137 . . . . 73.32 110.414 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 156.86 42.94 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.472 1.775 . . . . 75.02 111.009 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.472 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -94.19 158.01 36.67 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 74.2 110.258 -179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 97.48 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.467 1.772 . . . . 75.45 111.035 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.93 12.3 22.61 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.514 1.134 . . . . 71.55 111.005 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -87.67 129.52 35.11 Favored 'General case' 0 C--N 1.325 -0.479 0 N-CA-C 108.283 -1.006 . . . . 73.02 108.283 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.408 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.64 1.57 6.15 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.517 1.135 . . . . 65.41 110.301 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -102.78 -28.01 6.44 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.516 1.135 . . . . 50.24 110.997 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.618 ' CG ' HD22 ' A' ' 30' ' ' LEU . 0.5 OUTLIER -82.91 -63.86 1.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.478 0.752 . . . . 75.55 110.291 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.864 ' CB ' HD21 ' A' ' 64' ' ' LEU . 8.6 t0 -47.4 -40.24 17.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 74.25 109.309 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.997 HD11 HG21 ' A' ' 73' ' ' VAL . 0.0 OUTLIER -61.06 -51.99 66.84 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.439 1.087 . . . . 71.2 109.342 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.935 HD11 HD11 ' A' ' 15' ' ' LEU . 7.0 tp -58.8 -32.83 69.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 72.52 109.272 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.559 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 4.7 t-160 -59.41 -21.96 60.71 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 75.3 109.64 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.601 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.7 -19.96 25.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 73.03 109.314 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.614 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 30.9 mtp -98.74 -11.65 21.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.466 1.104 . . . . 54.52 111.003 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.851 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.4 t -86.0 -53.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.469 1.106 . . . . 74.54 109.335 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.548 ' HB2' ' HB2' ' A' ' 57' ' ' ALA . 1.1 mm? -40.15 -49.17 2.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.535 1.147 . . . . 75.21 109.318 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.565 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.9 mt -50.73 -53.44 31.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.536 1.147 . . . . 72.32 109.306 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . . . . . . . . . 8.6 mmmt -41.07 -29.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 70.1 109.288 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.776 HD22 HD23 ' A' ' 24' ' ' LEU . 0.4 OUTLIER -88.02 -46.03 9.69 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 1.142 . . . . 75.22 109.309 179.976 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 119.23 8.51 9.34 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.466 1.104 . . . . 42.54 111.008 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.4 pt20 -121.36 83.02 2.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.515 0.774 . . . . 73.12 110.264 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.418 ' O ' ' N ' ' A' ' 57' ' ' ALA . 1.9 pt-20 -73.34 -19.43 61.02 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 72.24 110.287 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.411 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.72 -37.22 0.32 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.116 . . . . 51.1 110.385 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 11.3 mp0 -82.82 -43.86 16.18 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.545 1.153 . . . . 72.13 110.348 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.548 ' HB2' ' HB2' ' A' ' 48' ' ' LEU . . . -47.54 -38.21 13.7 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 55.23 109.266 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.0 mtp180 -61.45 -44.62 96.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.531 1.145 . . . . 64.35 110.33 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -60.14 -58.81 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 71.35 109.296 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.568 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.7 OUTLIER -50.59 -45.2 57.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.518 1.136 . . . . 62.22 109.993 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.871 HD22 ' O ' ' A' ' 70' ' ' ALA . 9.6 mt -55.22 -43.87 74.9 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.446 1.092 . . . . 73.33 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -68.05 -19.15 64.86 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.517 1.136 . . . . 73.24 110.318 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.568 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.31 -5.26 38.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.521 1.138 . . . . 63.05 109.318 179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.864 HD21 ' CB ' ' A' ' 41' ' ' ASP . 3.0 mt -117.93 46.29 1.79 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.088 . . . . 74.53 109.335 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.7 mtmt -50.37 -23.12 2.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.469 1.106 . . . . 72.13 109.306 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.76 -59.37 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 72.23 109.327 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.684 ' OD1' HD22 ' A' ' 64' ' ' LEU . 0.6 OUTLIER -60.4 133.62 56.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 74.34 109.291 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.451 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.59 -12.39 37.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 73.21 109.33 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.916 HG21 ' HB2' ' A' ' 95' ' ' ALA . 12.4 t -74.71 -23.46 17.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 74.34 109.299 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.871 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -64.97 -57.8 7.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.415 1.072 . . . . 13.2 109.302 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.694 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 1.4 mpp_? -52.27 -52.61 51.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 63.0 110.304 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.553 HD13 ' C ' ' A' ' 72' ' ' LEU . 1.9 tm? -59.56 -40.57 87.78 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 62.35 109.289 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.997 HG21 HD11 ' A' ' 42' ' ' LEU . 24.1 t -71.9 -4.59 4.95 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 70.25 109.296 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.853 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.92 -52.45 6.34 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.459 1.1 . . . . 74.34 109.31 179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.79 HH21 ' HA ' ' A' ' 86' ' ' PRO . 0.1 OUTLIER -88.43 -6.8 57.44 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.49 1.119 . . . . 72.43 110.262 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.577 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.0 OUTLIER -86.91 -42.2 13.38 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.448 1.093 . . . . 74.14 110.348 179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.792 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.3 m-90 -116.97 -59.5 1.95 Allowed 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 107.965 -1.124 . . . . 72.33 107.965 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.853 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -20.37 5.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 71.34 109.328 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 62.3 26.11 67.48 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.508 1.13 . . . . 72.43 111.035 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.853 HG21 ' HB1' ' A' ' 74' ' ' ALA . 77.1 t -44.98 169.07 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.529 0.782 . . . . 74.31 109.309 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.572 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -83.35 19.26 1.56 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.433 1.083 . . . . 71.51 109.285 -179.996 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.466 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 34.7 m -76.22 51.91 0.72 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 63.32 110.014 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.451 ' O ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -44.54 -22.87 0.09 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.506 1.129 . . . . 72.31 110.417 -179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.451 ' O ' ' O ' ' A' ' 83' ' ' THR . 19.8 pt-20 -38.28 160.16 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 74.41 110.272 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 21.3 t0 -58.49 125.16 75.17 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 62.25 109.277 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.79 ' HA ' HH21 ' A' ' 75' ' ' ARG . 18.4 Cg_endo -75.0 55.15 3.86 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.522 1.801 . . . . 74.11 111.002 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 59.7 mt-10 -58.03 116.49 3.56 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 72.14 110.33 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -54.1 129.4 58.49 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 71.13 110.334 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.568 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.5 Cg_endo -74.97 173.11 15.06 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.507 1.793 . . . . 73.15 111.023 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 -2.16 12.17 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.476 1.777 . . . . 75.02 111.02 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.456 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 37.4 m-20 -119.86 23.21 11.2 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.471 1.107 . . . . 72.21 109.297 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.424 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.5 OUTLIER -45.98 -37.93 2.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 74.33 109.338 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 7.3 t -105.51 -46.96 4.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 73.42 110.016 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.934 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.2 t90 -44.8 -55.46 5.34 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 74.44 108.008 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.916 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -49.12 -45.41 43.48 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.518 1.136 . . . . 75.23 109.315 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.653 HG22 ' HG ' ' A' ' 8' ' ' LEU . 30.9 t -58.86 -39.65 78.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 1.125 . . . . 72.13 109.309 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.547 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.42 -63.71 1.01 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 52.25 109.272 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.408 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 17.3 mtt180 -50.28 -31.62 14.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.144 . . . . 62.32 110.316 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.714 HD11 HD13 ' A' ' 43' ' ' LEU . 3.0 tp -67.23 -51.89 47.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.503 1.127 . . . . 62.42 109.287 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.909 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.4 m-85 -70.09 -19.01 63.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 71.54 111.004 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.414 ' HA ' ' NE ' ' A' ' 114' ' ' ARG . 2.0 t60 -59.95 -24.24 64.23 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.454 1.096 . . . . 55.42 109.585 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -97.33 -30.32 13.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 63.43 109.279 -179.969 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.458 HD11 ' HB1' ' A' ' 11' ' ' ALA . 82.4 mt -64.26 -17.65 63.81 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.506 1.129 . . . . 74.33 109.334 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.668 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -79.28 -11.61 59.94 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.496 1.123 . . . . 70.21 109.32 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -99.67 -20.14 16.44 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.122 . . . . 64.3 110.287 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.476 ' OE2' HD21 ' A' ' 26' ' ' LEU . 13.3 mm-40 -85.0 -19.23 32.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 64.12 110.284 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.3 mmtp 77.52 26.29 0.68 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 51.43 109.321 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 91.1 mt -90.63 -34.96 15.25 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 64.23 109.319 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -142.94 149.27 48.85 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 75.53 108.315 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.75 ' HD2' HD23 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -74.99 154.61 42.65 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.482 1.78 . . . . 73.12 110.961 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.21 -16.39 44.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 1.12 . . . . 72.11 109.308 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 30.7 m -58.07 -26.46 62.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 42.21 109.966 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.75 HD23 ' HD2' ' A' ' 110' ' ' PRO . 3.5 mm? -80.71 -61.57 1.93 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.23 109.279 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.668 HH21 ' CB ' ' A' ' 104' ' ' ALA . 4.9 ttm180 -42.07 -34.84 0.78 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.463 1.102 . . . . 71.3 110.3 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.37 -68.46 0.37 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 75.13 109.29 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 25.3 t -46.47 -30.6 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.494 1.121 . . . . 65.51 109.274 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.403 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -67.05 -49.46 65.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 63.12 109.28 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.547 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 1.6 m-85 -58.22 -48.97 78.71 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.505 1.128 . . . . 74.33 110.977 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.429 ' O ' ' N ' ' A' ' 122' ' ' VAL . 69.4 mt-30 -47.93 -60.63 2.46 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 72.22 110.323 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 56.7 mm-40 -51.41 -23.93 4.35 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.529 1.143 . . . . 74.12 110.333 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.541 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -82.08 -30.77 31.11 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 42.52 109.275 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.669 HG22 HE22 ' A' ' 137' ' ' GLN . 36.1 t -64.2 -31.28 52.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 60.02 109.31 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.46 ' O ' ' N ' ' A' ' 125' ' ' LEU . 20.3 mmt180 -75.47 -62.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.532 1.145 . . . . 64.13 110.303 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.657 HG22 HD13 ' A' ' 125' ' ' LEU . 0.5 OUTLIER -37.95 -30.19 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.505 1.128 . . . . 72.34 110.377 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.921 HD22 HD22 ' A' ' 136' ' ' LEU . 4.7 mp -88.13 -61.59 1.68 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.505 1.128 . . . . 71.12 109.289 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.415 ' C ' ' O ' ' A' ' 125' ' ' LEU . 46.9 t -38.43 -48.61 1.38 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 74.32 110.041 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 88.6 p -52.72 -59.24 4.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.126 . . . . 72.23 110.005 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.449 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.06 5.54 13.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.144 . . . . 71.44 110.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.534 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.9 t0 41.15 37.28 0.56 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.13 . . . . 60.1 109.344 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.449 ' CG ' HH21 ' A' ' 128' ' ' ARG . 16.0 t0 -40.32 157.89 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.108 . . . . 63.14 109.316 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 9.5 p80 -78.43 -0.07 27.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 74.42 109.62 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -114.41 -1.66 13.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 75.32 110.298 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.76 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.6 tm? -49.66 -71.58 0.06 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 72.14 109.333 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.76 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -45.12 -34.0 4.12 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.506 1.129 . . . . 72.33 110.987 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.81 -39.36 80.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 0.762 . . . . 65.44 110.311 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.934 HD13 ' CE2' ' A' ' 94' ' ' TRP . 41.4 tp -65.44 -32.31 73.87 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 75.34 109.288 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.669 HE22 HG22 ' A' ' 122' ' ' VAL . 55.4 mm-40 -69.69 -21.35 63.51 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.099 . . . . 52.43 110.28 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.446 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 14.1 t70 -107.24 -2.72 20.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.522 1.139 . . . . 74.23 109.328 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 14.5 tt0 -99.64 -42.99 6.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.505 1.128 . . . . 75.22 110.341 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.796 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -59.24 -16.66 22.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 64.14 109.32 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.597 ' O ' ' N ' ' A' ' 145' ' ' GLY . 13.2 ptp180 -100.67 -44.54 5.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.52 110.297 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.507 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 10.7 t-20 -63.44 -10.15 15.98 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.493 1.121 . . . . 74.31 109.298 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 15.2 mmp_? -102.07 -40.9 6.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.109 . . . . 72.31 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -102.73 -57.57 2.03 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 73.34 108.272 -179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.597 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 108.88 70.27 0.67 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.51 1.131 . . . . 72.43 110.973 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.916 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.6 OUTLIER -156.81 -174.77 5.08 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.997 -1.112 . . . . 74.44 107.997 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.3 p30 -109.16 64.64 0.61 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.479 1.112 . . . . 75.25 109.332 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.916 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 9.5 tt -67.14 -30.64 50.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 70.52 109.326 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.634 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -67.32 -10.24 48.99 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.537 1.148 . . . . 72.44 109.349 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.57 14.85 42.5 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.504 1.127 . . . . 51.04 110.981 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 67.9 m-20 -61.48 151.19 78.33 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 0.763 . . . . 74.24 109.255 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -8.34 19.98 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.482 1.78 . . . . 74.33 111.001 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 80.1 3.13 89.5 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.459 1.099 . . . . 41.25 111.02 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 10.4 t 62.36 46.53 5.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.562 0.801 . . . . 64.52 110.042 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 5.4 pt -127.34 159.5 37.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.529 1.143 . . . . 65.12 109.273 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 19.3 ptt180 . . . . . 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 72.42 110.27 -179.982 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 26.4 m170 . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.594 -0.521 . . . . 64.43 109.594 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 96.6 mtp -76.61 131.55 38.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 74.41 110.979 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.7 165.42 21.89 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 65.32 109.346 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 5.5 m -121.82 37.39 4.37 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.119 . . . . 71.22 108.327 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 3.6 t -130.55 150.25 51.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 71.01 110.403 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -97.53 -84.45 1.75 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.48 1.113 . . . . 71.24 111.021 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.527 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.4 Cg_endo -75.03 -162.66 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.501 1.79 . . . . 73.23 110.99 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.6 t 179.9 177.5 0.64 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 74.22 110.014 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.669 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -69.2 -51.62 17.36 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.463 1.102 . . . . 75.15 109.299 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.514 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.99 -27.85 9.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.468 1.773 . . . . 55.11 111.022 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 61.9 m -51.22 -41.06 60.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.554 1.159 . . . . 73.44 110.01 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.839 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -66.96 -36.5 82.34 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.452 1.095 . . . . 64.14 109.293 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.802 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -67.62 -35.65 79.34 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 75.42 111.007 -179.996 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -68.01 -52.71 32.51 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.513 1.133 . . . . 73.41 109.281 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.901 HD13 ' SG ' ' A' ' 109' ' ' CYS . 9.3 mt -61.03 -25.0 34.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.475 1.11 . . . . 74.43 109.308 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.492 HD21 ' HG3' ' A' ' 50' ' ' LYS . 0.6 OUTLIER -62.04 -50.61 71.3 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.481 1.113 . . . . 74.14 109.274 -179.967 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.508 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -73.97 -18.69 79.71 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.495 1.122 . . . . 44.11 110.996 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.41 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -81.43 2.74 27.3 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.533 0.784 . . . . 73.01 109.297 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.873 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.64 -69.27 0.64 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.501 1.125 . . . . 71.44 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 169.92 137.15 2.21 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.485 1.115 . . . . 71.03 111.025 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 19' ' ' GLY . 44.3 tp60 -37.62 -61.57 0.6 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 0.777 . . . . 63.14 110.337 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 4.5 p-10 -63.23 -34.53 77.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 1.13 . . . . 63.3 109.265 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.873 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.7 OUTLIER -50.28 -30.48 11.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.125 . . . . 71.05 109.258 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.442 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.55 -56.33 5.54 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 72.11 109.292 -179.999 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.708 HD13 HD21 ' A' ' 51' ' ' LEU . 2.1 mm? -50.43 -53.29 30.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 65.45 109.264 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.503 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.6 OUTLIER -51.38 -73.05 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 75.3 110.983 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.503 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 40.8 mt -39.48 -47.82 1.9 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.531 1.144 . . . . 60.53 109.343 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.443 ' HD3' ' CE ' ' A' ' 31' ' ' LYS . 0.0 OUTLIER -53.02 -52.35 58.75 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 73.33 109.284 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.8 m-70 -62.26 -13.45 28.34 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.527 1.142 . . . . 73.21 109.618 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 1.7 tttp -86.88 -49.99 7.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.506 1.129 . . . . 73.51 109.253 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.695 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.5 OUTLIER -63.72 -13.06 40.0 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 74.0 109.331 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' CE ' ' HD3' ' A' ' 27' ' ' LYS . 30.0 mmtt -39.18 -30.89 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 74.04 109.332 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.659 HG22 ' NH1' ' A' ' 34' ' ' ARG . 8.9 m -125.94 107.49 25.32 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.504 1.127 . . . . 74.22 110.413 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.58 41.28 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.472 1.775 . . . . 45.52 111.042 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.659 ' NH1' HG22 ' A' ' 32' ' ' THR . 3.4 mmm180 -97.95 161.09 26.78 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.149 . . . . 74.33 110.336 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.525 1.803 . . . . 71.44 110.986 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 104.8 7.93 37.95 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.49 1.118 . . . . 71.31 111.018 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -90.08 127.99 36.2 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.353 -0.981 . . . . 71.34 108.353 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.406 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.26 3.19 5.75 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 74.52 110.304 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.501 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.69 -25.04 8.82 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.497 1.123 . . . . 62.04 111.028 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.695 ' CG ' HD22 ' A' ' 30' ' ' LEU . 6.6 tt0 -84.85 -54.82 4.43 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 71.42 110.337 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.799 ' HB3' HD11 ' A' ' 64' ' ' LEU . 17.9 t0 -56.81 -40.9 76.8 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.49 1.118 . . . . 74.24 109.292 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.602 HD11 HG21 ' A' ' 73' ' ' VAL . 18.4 tp -61.92 -53.18 59.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 71.45 109.266 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.914 ' O ' HG23 ' A' ' 47' ' ' VAL . 14.2 tp -58.4 -27.06 63.92 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.482 1.114 . . . . 63.1 109.277 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.689 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.2 t-160 -63.49 -25.35 68.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 75.44 109.62 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.618 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.44 -14.17 38.63 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.512 1.132 . . . . 52.23 109.317 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.641 ' SD ' HD11 ' A' ' 99' ' ' LEU . 55.7 mtp -98.61 -9.02 25.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.473 1.108 . . . . 60.14 110.957 -179.963 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.914 HG23 ' O ' ' A' ' 43' ' ' LEU . 55.2 t -95.44 -55.35 6.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.57 1.169 . . . . 73.53 109.279 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.457 HD13 ' HA ' ' A' ' 48' ' ' LEU . 0.8 OUTLIER -39.71 -46.82 1.94 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 73.55 109.299 179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.661 HD22 ' HB3' ' A' ' 77' ' ' TRP . 8.0 mp -53.2 -49.53 66.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 74.55 109.298 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.508 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 4.2 mmmt -45.99 -29.66 1.53 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.478 1.111 . . . . 75.21 109.285 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.708 HD21 HD13 ' A' ' 24' ' ' LEU . 1.8 mp -85.12 -50.77 7.14 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 75.43 109.295 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 127.64 0.49 6.68 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.545 1.153 . . . . 72.33 111.025 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 1.5 pt20 -113.47 84.99 2.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 0.757 . . . . 72.23 110.299 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.0 OUTLIER -75.95 -18.22 59.42 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 75.22 110.321 179.96 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -40.51 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 71.32 110.374 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.4 mm-40 -93.38 -44.41 8.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 54.44 110.28 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.494 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -45.03 -39.35 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 75.3 109.277 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.592 ' HA ' HD12 ' A' ' 61' ' ' LEU . 74.9 mtp180 -64.22 -53.28 51.71 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.472 1.108 . . . . 72.22 110.32 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.2 mp -49.3 -44.81 17.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.577 1.173 . . . . 64.55 109.307 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.43 ' CB ' ' OD2' ' A' ' 41' ' ' ASP . 0.1 OUTLIER -62.61 -46.14 89.63 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 75.53 109.98 -179.998 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.903 HD22 ' O ' ' A' ' 70' ' ' ALA . 7.1 mt -60.04 -30.7 69.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.53 1.144 . . . . 70.52 109.335 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.5 tt0 -83.29 -15.22 50.99 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.483 1.114 . . . . 64.23 110.247 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.581 ' HB3' ' OD1' ' A' ' 41' ' ' ASP . . . -77.56 -1.01 28.51 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.559 1.162 . . . . 73.33 109.308 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.799 HD11 ' HB3' ' A' ' 41' ' ' ASP . 1.4 mt -121.81 51.84 1.3 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.497 1.123 . . . . 72.11 109.285 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.433 ' O ' ' NH1' ' A' ' 71' ' ' ARG . 2.1 mmmm -48.49 -33.59 9.72 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 75.42 109.267 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -70.52 -51.72 26.85 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.513 1.133 . . . . 72.25 109.294 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.502 ' OD1' HG23 ' A' ' 69' ' ' VAL . 3.4 t0 -69.19 134.61 49.47 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 74.21 109.307 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 71' ' ' ARG . . . -92.17 -31.86 15.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.526 1.141 . . . . 75.53 109.267 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.703 HG21 ' HB2' ' A' ' 95' ' ' ALA . 1.9 m -57.45 -21.39 15.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.532 1.145 . . . . 74.33 109.295 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.903 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -65.59 -47.72 74.76 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.528 1.143 . . . . 72.12 109.261 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.803 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.1 OUTLIER -64.27 -55.29 22.47 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 1.1 . . . . 74.32 110.26 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.726 HD23 HH21 ' A' ' 75' ' ' ARG . 0.9 OUTLIER -54.11 -50.13 67.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 62.43 109.266 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.659 HG23 ' O ' ' A' ' 69' ' ' VAL . 42.1 t -58.84 -15.79 7.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.512 1.133 . . . . 72.15 109.263 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.821 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -75.48 -63.15 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.11 109.308 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.726 HH21 HD23 ' A' ' 72' ' ' LEU . 5.9 ptt-85 -73.19 -6.21 44.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.5 1.125 . . . . 73.41 110.341 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.477 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.2 tp60 -87.72 -44.02 11.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.518 1.136 . . . . 71.33 110.337 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.802 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 25.0 m-90 -114.22 -60.11 1.93 Allowed 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.986 -1.116 . . . . 74.23 107.986 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.821 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -45.42 -26.53 0.56 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.523 1.139 . . . . 73.42 109.262 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.405 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 77.45 18.24 78.11 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.526 1.142 . . . . 45.41 110.974 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.52 ' CG1' ' N ' ' A' ' 81' ' ' ASP . 2.6 t -42.92 165.22 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.528 0.781 . . . . 44.45 109.292 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.52 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 3.8 t0 -82.23 46.11 1.0 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.485 1.116 . . . . 74.14 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.476 ' C ' ' O ' ' A' ' 81' ' ' ASP . 90.4 p 33.46 38.08 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 1.147 . . . . 74.35 109.98 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.453 ' N ' ' O ' ' A' ' 81' ' ' ASP . 18.6 p -43.99 -25.31 0.2 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.503 1.127 . . . . 75.33 110.435 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.425 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 6.1 mt-10 -102.3 -164.12 1.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 73.44 110.262 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -96.47 157.36 35.55 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.471 1.107 . . . . 73.34 109.322 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 0.27 9.08 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.445 1.761 . . . . 54.03 111.057 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 5.7 pt-20 -64.52 118.55 8.97 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.513 1.133 . . . . 75.13 110.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.423 ' HB3' ' CG1' ' A' ' 92' ' ' VAL . 1.3 mt-10 -60.18 145.26 85.94 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 74.41 110.305 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.56 ' HG2' HG12 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -74.97 161.27 39.11 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.52 1.8 . . . . 63.34 111.007 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.29 9.09 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.581 1.832 . . . . 52.14 111.067 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.58 ' OD1' HG22 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -116.01 20.95 14.12 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.492 1.12 . . . . 54.23 109.279 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.738 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -39.31 -78.87 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.552 1.158 . . . . 75.53 109.283 -179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.43 ' H ' HG23 ' A' ' 92' ' ' VAL . 4.3 m -70.57 -45.8 64.7 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 75.33 109.944 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.137 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -39.8 -69.79 0.12 Allowed 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 107.948 -1.13 . . . . 73.22 107.948 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.703 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.33 -56.2 1.59 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.513 1.133 . . . . 62.4 109.332 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 92' ' ' VAL . 24.2 t -47.16 -43.88 7.82 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.454 1.096 . . . . 73.43 109.298 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.486 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -68.0 -31.29 70.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 74.12 109.309 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.456 ' N ' ' O ' ' A' ' 95' ' ' ALA . 4.5 mtt180 -81.11 -18.71 45.55 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 1.124 . . . . 74.51 110.32 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.85 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -82.32 -46.65 13.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.122 . . . . 73.45 109.309 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.839 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.3 m-85 -67.36 -20.26 65.54 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 70.54 111.016 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 7.3 t60 -58.11 -31.72 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.433 1.083 . . . . 75.03 109.565 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.508 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.5 mt -88.92 -29.04 19.89 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.503 1.127 . . . . 72.4 109.309 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.404 HD21 HD21 ' A' ' 43' ' ' LEU . 56.1 mt -63.99 -19.69 65.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.537 1.148 . . . . 65.33 109.335 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -79.89 -10.04 59.74 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.427 1.079 . . . . 44.42 109.316 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -99.67 -20.38 16.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 73.33 110.274 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 8.8 mm-40 -86.51 -16.81 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 74.4 110.294 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 12.2 mmtp 77.14 23.9 0.89 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 70.21 109.285 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 15.8 mt -93.3 -36.55 12.5 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 54.54 109.276 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.901 ' SG ' HD13 ' A' ' 14' ' ' ILE . 1.3 m -138.39 148.94 61.28 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 74.14 108.274 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 176.24 10.17 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.466 1.771 . . . . 72.22 111.037 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -84.72 -14.92 46.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 74.2 109.328 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 26.5 m -56.98 -37.88 72.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.509 1.13 . . . . 45.22 109.995 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.474 HD13 ' HE2' ' A' ' 100' ' ' TYR . 70.2 mt -70.32 -44.75 67.63 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.504 1.127 . . . . 72.22 109.336 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.558 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 6.4 ttp180 -47.98 -23.76 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 64.43 110.278 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.589 ' OD2' ' CZ3' ' A' ' 146' ' ' TRP . 0.9 OUTLIER -84.87 -70.11 0.6 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.141 . . . . 73.5 109.247 -179.934 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.433 HG12 ' HD2' ' A' ' 6' ' ' PRO . 18.3 t -40.82 -30.75 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.489 1.118 . . . . 75.51 109.294 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.527 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -72.07 -55.3 7.58 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.458 1.099 . . . . 54.52 109.306 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.71 ' O ' HG12 ' A' ' 122' ' ' VAL . 1.9 m-85 -54.45 -44.34 72.44 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.569 1.168 . . . . 61.45 110.985 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.514 ' HA ' ' CG1' ' A' ' 122' ' ' VAL . 62.5 mt-30 -54.39 -47.61 72.49 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 75.24 110.31 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.4 mm-40 -61.83 -12.77 19.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 54.33 110.273 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' HG22 ' A' ' 124' ' ' THR . . . -94.97 -61.97 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.478 1.112 . . . . 73.14 109.281 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.71 HG12 ' O ' ' A' ' 118' ' ' TYR . 0.9 OUTLIER -52.15 -28.9 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 60.21 109.285 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.48 ' CD ' ' C ' ' A' ' 123' ' ' ARG . 0.0 OUTLIER -65.48 -35.13 79.98 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.468 1.105 . . . . 71.42 110.254 -179.942 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.568 HG23 HD23 ' A' ' 125' ' ' LEU . 1.0 OUTLIER -83.26 -33.29 26.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 74.04 110.382 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.623 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 3.6 mt -74.37 -30.13 61.85 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 75.2 109.33 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 46.0 t -78.63 -41.11 32.42 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.131 . . . . 74.32 109.995 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 79.6 p -59.12 -40.03 84.16 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.475 1.11 . . . . 54.41 110.009 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.437 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 3.2 ptt85 -101.86 4.74 40.56 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.493 1.121 . . . . 75.41 110.285 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.4 ' O ' ' O ' ' A' ' 130' ' ' ASP . 4.0 m-20 40.19 48.14 2.21 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.496 1.123 . . . . 73.52 109.296 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.481 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.5 t0 -47.51 173.01 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 74.23 109.329 179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.0 p80 -87.75 0.69 55.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.498 1.123 . . . . 72.22 109.637 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -119.88 4.11 11.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 62.13 110.295 179.997 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.893 HD22 HE21 ' A' ' 137' ' ' GLN . 0.9 OUTLIER -54.11 -65.36 0.59 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.568 1.167 . . . . 52.53 109.311 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.793 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -51.77 -31.45 30.92 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.471 1.107 . . . . 74.35 110.965 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.1 tt0 -71.87 -32.66 67.7 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 0.772 . . . . 71.33 110.266 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.137 HD13 ' CE2' ' A' ' 94' ' ' TRP . 37.2 tp -73.23 -44.75 59.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.11 . . . . 74.05 109.304 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.923 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 6.8 mm-40 -64.96 -13.74 58.22 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 65.33 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -103.3 -15.35 15.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.533 1.145 . . . . 63.55 109.278 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -92.29 -58.44 2.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 74.55 110.297 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -51.04 -21.77 2.01 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 61.23 109.291 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.494 ' O ' ' N ' ' A' ' 145' ' ' GLY . 55.8 mtm180 -86.29 -59.47 2.28 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 1.111 . . . . 75.11 110.299 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.72 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.4 OUTLIER -50.94 -22.64 2.36 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 74.11 109.328 179.955 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.72 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.5 mmp_? -83.97 -78.35 0.23 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.44 110.295 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.25 -56.0 17.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 60.41 108.274 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 103.13 64.93 0.71 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.467 1.104 . . . . 71.11 110.989 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.601 ' CH2' ' HB ' ' A' ' 148' ' ' ILE . 0.2 OUTLIER -148.58 -168.6 3.14 Favored 'General case' 0 C--N 1.324 -0.514 0 N-CA-C 108.005 -1.109 . . . . 75.51 108.005 179.973 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.45 63.55 0.77 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.444 1.09 . . . . 65.51 109.277 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.601 ' HB ' ' CH2' ' A' ' 146' ' ' TRP . 6.1 tt -62.62 -40.2 87.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.533 1.146 . . . . 71.45 109.271 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.923 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.6 -26.9 2.46 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 73.11 109.322 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 104.79 20.12 10.31 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.491 1.119 . . . . 63.25 111.034 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.435 ' OD2' ' NH1' ' A' ' 141' ' ' ARG . 0.7 OUTLIER -51.8 164.69 0.52 Allowed Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.475 0.75 . . . . 72.54 109.325 179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -11.07 21.47 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.515 1.797 . . . . 74.13 111.035 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 77.98 22.24 69.22 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.487 1.117 . . . . 75.22 110.972 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 6.4 p 51.77 48.97 21.79 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 0.759 . . . . 71.02 109.976 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 3.6 mm -69.35 158.9 5.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.496 1.122 . . . . 73.51 109.312 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.427 ' C ' ' CD ' ' A' ' 156' ' ' ARG . 2.8 ppt_? . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 60.05 110.285 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 109.567 -0.531 . . . . 70.43 109.567 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.1 tmm? -38.56 135.61 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 63.43 111.008 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.56 125.55 30.77 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 54.22 109.302 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 t -121.72 174.6 6.73 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.14 . . . . 74.4 108.268 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 2.6 p -113.89 13.27 18.33 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 63.44 110.397 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -169.87 -86.19 0.06 OUTLIER Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 54.31 111.014 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.521 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.03 -162.89 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.464 1.77 . . . . 65.15 111.027 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.481 ' OG ' ' CB ' ' A' ' 10' ' ' SER . 81.8 p -179.69 -179.16 0.49 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.575 1.172 . . . . 51.4 109.972 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.871 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -70.73 -50.58 12.94 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 62.34 109.278 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.529 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -38.46 1.59 Allowed 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.499 1.789 . . . . 70.44 111.008 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.481 ' CB ' ' OG ' ' A' ' 7' ' ' SER . 10.7 t -40.96 -45.23 2.53 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 54.24 110.023 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.977 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.64 -45.52 93.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 1.116 . . . . 43.21 109.261 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.729 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -57.59 -34.86 69.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.492 1.12 . . . . 74.12 111.047 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -66.28 -52.34 48.41 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.55 1.156 . . . . 65.13 109.285 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.65 HG21 ' SG ' ' A' ' 109' ' ' CYS . 17.0 mt -61.77 -20.07 22.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 63.15 109.311 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.664 HD21 ' O ' ' A' ' 46' ' ' MET . 1.2 tp -71.83 -41.27 68.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.543 1.152 . . . . 72.23 109.273 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.536 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -80.55 1.94 80.32 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.518 1.136 . . . . 34.13 111.025 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -110.75 6.78 21.76 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 34.03 109.299 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.855 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -82.54 -63.33 1.39 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 74.11 109.293 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 158.82 135.05 1.8 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.487 1.117 . . . . 55.21 110.997 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.427 ' C ' ' O ' ' A' ' 19' ' ' GLY . 39.5 tp60 -36.76 -63.71 0.39 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.515 0.774 . . . . 53.32 110.314 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.88 -37.47 76.62 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.122 . . . . 72.51 109.29 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.855 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -50.12 -30.04 10.3 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 73.41 109.315 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.511 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -73.43 -57.74 3.79 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.436 1.085 . . . . 72.21 109.316 179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.586 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.9 mm? -48.91 -54.02 17.16 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.452 1.095 . . . . 64.43 109.308 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.45 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 1.9 t80 -52.7 -72.8 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.455 1.097 . . . . 65.4 111.021 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 29' ' ' LYS . 58.6 mt -38.98 -60.23 0.88 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 70.25 109.294 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.531 ' HE2' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -45.38 -48.32 13.48 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.103 . . . . 74.12 109.311 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.586 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 81.3 m-70 -62.39 -32.76 73.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 75.31 109.629 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' N ' ' O ' ' A' ' 26' ' ' LEU . 3.3 tttp -72.71 -31.99 65.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.563 1.164 . . . . 72.32 109.309 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.641 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.7 mt -73.08 -20.95 60.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 64.13 109.303 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 8.3 mmtt -39.29 -30.74 0.06 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.502 1.126 . . . . 73.54 109.266 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.438 ' N ' ' O ' ' A' ' 30' ' ' LEU . 1.1 m -108.56 100.75 39.96 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.561 1.163 . . . . 71.13 110.407 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 165.57 31.04 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.488 1.783 . . . . 75.12 111.002 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.511 ' CA ' ' NE ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -114.24 166.97 10.35 Favored Pre-proline 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 71.44 110.283 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 97.92 1.12 Allowed 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.52 1.8 . . . . 71.25 110.996 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 98.02 15.19 36.98 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.46 1.1 . . . . 33.23 111.012 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.401 ' O ' ' SG ' ' A' ' 37' ' ' CYS . 16.0 p -67.98 123.74 21.45 Favored 'General case' 0 C--N 1.325 -0.46 0 N-CA-C 108.279 -1.008 . . . . 74.44 108.279 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.65 0.39 6.14 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.455 1.097 . . . . 73.14 110.333 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.495 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -116.47 -33.06 1.5 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.484 1.115 . . . . 61.12 110.996 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.49 ' N ' ' CD1' ' A' ' 102' ' ' LEU . 4.3 tt0 -74.59 -65.86 0.81 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.498 0.763 . . . . 71.31 110.285 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.768 ' CB ' HD21 ' A' ' 64' ' ' LEU . 3.4 t70 -53.51 -36.75 62.07 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.513 1.133 . . . . 63.03 109.334 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.673 HD21 HG21 ' A' ' 73' ' ' VAL . 4.7 tt -61.34 -57.31 12.81 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 73.42 109.289 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.904 HD12 HD21 ' A' ' 99' ' ' LEU . 1.7 tt -55.72 -30.09 60.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.499 1.124 . . . . 64.05 109.266 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.567 ' HA ' HD12 ' A' ' 30' ' ' LEU . 6.0 t-160 -56.05 -31.17 62.92 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 74.41 109.545 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.647 ' HB1' HD11 ' A' ' 61' ' ' LEU . . . -83.74 -26.29 29.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.476 1.11 . . . . 73.14 109.33 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.711 ' SD ' HD11 ' A' ' 99' ' ' LEU . 75.9 mtp -80.19 -12.06 59.68 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.493 1.121 . . . . 61.04 110.991 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.578 HG23 ' O ' ' A' ' 43' ' ' LEU . 97.0 t -95.17 -51.19 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 74.12 109.309 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.845 HD13 HD12 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -40.35 -48.98 2.77 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 61.55 109.294 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.553 HD22 ' HB3' ' A' ' 77' ' ' TRP . 6.0 mp -53.66 -50.49 65.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.448 1.092 . . . . 73.22 109.282 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' CE ' ' CA ' ' A' ' 16' ' ' GLY . 8.4 mmmt -51.43 -24.79 5.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 73.43 109.286 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.845 HD12 HD13 ' A' ' 48' ' ' LEU . 9.4 mt -87.12 -43.64 12.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 64.31 109.285 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 114.56 15.42 8.16 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.486 1.116 . . . . 75.0 110.973 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.554 ' O ' HD12 ' A' ' 48' ' ' LEU . 0.1 OUTLIER -131.67 80.28 1.92 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.477 0.751 . . . . 74.24 110.302 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' THR . 1.9 pt-20 -73.48 -18.4 61.12 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.527 1.142 . . . . 63.01 110.256 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -38.26 -34.67 0.13 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.526 1.141 . . . . 73.23 110.368 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.426 ' O ' ' N ' ' A' ' 59' ' ' ILE . 12.1 mp0 -86.29 -45.61 11.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.477 1.11 . . . . 75.43 110.274 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' HB1' ' HB1' ' A' ' 45' ' ' ALA . . . -44.83 -41.0 6.66 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.529 1.143 . . . . 63.31 109.316 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.2 mtp180 -60.19 -40.55 90.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.507 1.13 . . . . 71.01 110.338 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -63.35 -59.24 4.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 62.35 109.295 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 18.4 t -49.69 -52.4 31.41 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 62.14 110.002 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.838 HD13 ' HA ' ' A' ' 74' ' ' ALA . 8.5 mt -56.19 -42.01 76.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.108 . . . . 72.13 109.303 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 24.3 tt0 -75.39 -15.06 60.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 72.31 110.304 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.439 ' N ' ' O ' ' A' ' 59' ' ' ILE . . . -88.53 12.82 13.47 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.476 1.11 . . . . 71.22 109.325 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.768 HD21 ' CB ' ' A' ' 41' ' ' ASP . 4.4 mt -125.13 53.44 1.51 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 73.33 109.282 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 17.6 mtmm -58.65 -17.36 21.7 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 74.2 109.282 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.05 -56.15 4.93 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 1.114 . . . . 72.24 109.301 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.531 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.1 OUTLIER -73.85 131.35 41.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 72.25 109.328 179.986 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -91.24 -5.06 55.38 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 74.43 109.325 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.891 HG22 ' HG2' ' A' ' 89' ' ' PRO . 86.3 t -90.51 -53.47 9.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.503 1.127 . . . . 75.32 109.318 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.759 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -45.8 -28.03 0.98 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.482 1.113 . . . . 63.01 109.309 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -78.07 -40.57 38.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 63.41 110.278 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.938 HD23 ' NH2' ' A' ' 75' ' ' ARG . 0.4 OUTLIER -72.79 -10.84 60.26 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 62.15 109.276 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.858 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.9 t -91.85 -5.62 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.508 1.13 . . . . 74.1 109.31 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.071 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.67 -35.2 24.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 65.31 109.319 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.938 ' NH2' HD23 ' A' ' 72' ' ' LEU . 7.5 ptt-85 -99.12 -5.75 29.58 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 72.41 110.34 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.562 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 6.5 tp60 -89.33 -45.79 9.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.517 1.135 . . . . 54.32 110.306 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.871 ' CH2' HD22 ' A' ' 8' ' ' LEU . 24.4 m-90 -108.34 -61.1 1.64 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.51 1.131 . . . . 63.45 107.977 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.071 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -48.35 -23.89 1.06 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.48 1.113 . . . . 72.14 109.29 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.423 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 72.79 19.41 79.33 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.479 1.112 . . . . 75.34 111.022 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.612 HG11 HG22 ' A' ' 83' ' ' THR . 2.5 t -42.46 165.32 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.481 0.753 . . . . 51.21 109.301 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' ' CG1' ' A' ' 80' ' ' VAL . 0.7 OUTLIER -80.92 45.79 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 71.01 109.341 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.465 ' C ' ' O ' ' A' ' 81' ' ' ASP . 91.1 p 33.66 37.41 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.525 1.14 . . . . 74.52 109.981 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.612 HG22 HG11 ' A' ' 80' ' ' VAL . 0.0 OUTLIER -39.97 -27.92 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 73.42 110.423 179.976 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' N ' ' C ' ' A' ' 82' ' ' SER . 3.9 mt-10 -84.35 -161.74 0.59 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.471 1.107 . . . . 74.41 110.29 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -109.93 157.76 36.87 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 73.42 109.303 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 81.05 2.3 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.436 1.756 . . . . 42.24 110.997 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -155.86 135.22 12.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.5 1.125 . . . . 70.01 110.284 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.419 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 2.4 mt-10 -79.4 140.03 55.94 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.499 1.125 . . . . 71.04 110.331 179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.891 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 160.4 40.29 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.508 1.794 . . . . 71.2 111.001 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.89 8.36 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.518 1.799 . . . . 70.43 111.024 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.887 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.1 OUTLIER -118.33 27.02 9.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.509 1.13 . . . . 75.44 109.294 179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.717 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -47.67 -78.77 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.455 1.097 . . . . 74.34 109.276 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.477 ' H ' HG23 ' A' ' 92' ' ' VAL . 11.1 t -65.67 -46.62 78.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.479 1.112 . . . . 72.44 110.01 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.077 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.2 t90 -41.33 -67.83 0.23 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 74.03 108.012 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.477 ' O ' ' N ' ' A' ' 98' ' ' ARG . . . -39.8 -55.41 1.96 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 70.42 109.306 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.795 HG22 ' HG ' ' A' ' 8' ' ' LEU . 23.1 t -47.84 -40.38 8.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.54 1.15 . . . . 64.24 109.267 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.516 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -71.75 -29.06 64.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.157 . . . . 75.12 109.294 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.517 ' NE ' ' NE1' ' A' ' 94' ' ' TRP . 5.2 mmt180 -75.03 -22.56 58.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 62.43 110.312 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.904 HD21 HD12 ' A' ' 43' ' ' LEU . 3.5 tt -82.18 -52.26 7.15 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 71.25 109.28 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.977 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 9.2 m-85 -60.4 -17.88 46.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.532 1.145 . . . . 75.11 110.974 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -67.92 -26.51 66.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 71.11 109.612 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.495 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.8 OUTLIER -92.76 -30.78 15.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.437 1.086 . . . . 63.32 109.318 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.742 HD13 ' SG ' ' A' ' 109' ' ' CYS . 15.1 mt -62.96 -25.92 68.59 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 64.53 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -72.97 -9.89 59.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.495 1.122 . . . . 75.14 109.318 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.7 mt-10 -99.46 -19.84 16.74 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 74.42 110.339 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -89.68 -18.59 26.15 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 1.155 . . . . 73.33 110.296 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmmm 78.42 31.09 0.38 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.489 1.118 . . . . 70.34 109.277 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 33.7 mt -102.73 -36.53 8.26 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.452 1.095 . . . . 72.04 109.302 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.742 ' SG ' HD13 ' A' ' 103' ' ' LEU . 3.2 m -131.55 145.23 56.69 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.461 1.101 . . . . 64.03 108.297 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 170.23 20.88 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.471 1.774 . . . . 64.23 110.993 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -80.95 -10.24 59.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.094 . . . . 61.43 109.249 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 47.4 m -64.08 -34.9 79.08 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.486 1.116 . . . . 74.24 110.006 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 33.2 mt -74.87 -43.72 52.9 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 73.21 109.285 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.587 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 4.3 ttp180 -49.78 -24.27 2.28 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 71.23 110.267 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.473 ' CG ' ' CZ2' ' A' ' 146' ' ' TRP . 1.4 m-20 -84.37 -71.04 0.53 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.486 1.116 . . . . 72.15 109.285 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 46.3 t -39.61 -34.61 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.497 1.123 . . . . 63.31 109.302 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.471 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -69.39 -55.18 11.1 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.462 1.101 . . . . 75.04 109.303 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.72 ' O ' HG13 ' A' ' 122' ' ' VAL . 1.3 m-85 -53.32 -46.95 69.63 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 75.0 110.995 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.655 ' O ' HG22 ' A' ' 122' ' ' VAL . 73.7 mt-30 -48.23 -63.68 1.01 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 55.14 110.313 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 35.3 mm-40 -50.45 -21.43 1.47 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 74.12 110.288 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.629 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -81.71 -42.97 19.1 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 54.13 109.295 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.72 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.3 m -66.01 -22.85 31.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.492 1.12 . . . . 71.34 109.323 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 32.3 mmt180 -73.62 -69.99 0.4 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.482 1.114 . . . . 75.51 110.311 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -41.47 -27.9 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 73.43 110.359 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 129' ' ' ASP . 6.4 mt -83.97 -68.45 0.71 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 63.2 109.251 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.451 ' N ' HD23 ' A' ' 133' ' ' LEU . 7.2 t -37.24 -39.93 0.3 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 52.4 110.014 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 1.6 t -60.67 -56.84 16.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.491 1.12 . . . . 74.55 109.998 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.447 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -81.84 5.26 19.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.133 . . . . 74.43 110.312 179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.47 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.0 t0 43.6 38.01 1.74 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.555 1.159 . . . . 74.54 109.304 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.447 ' CG ' HH21 ' A' ' 128' ' ' ARG . 15.5 t0 -41.3 160.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.498 1.124 . . . . 73.21 109.29 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -81.46 -1.98 47.9 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.139 . . . . 74.42 109.592 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -112.74 -2.56 14.43 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 72.24 110.291 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.726 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.97 -71.4 0.07 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 71.52 109.329 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.726 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.31 -32.77 7.33 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.495 1.122 . . . . 74.04 111.013 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -69.47 -34.71 74.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.753 . . . . 72.33 110.315 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.077 HD13 ' CE2' ' A' ' 94' ' ' TRP . 30.9 tp -69.8 -40.46 75.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 75.31 109.266 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.826 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.3 mm-40 -66.17 -17.95 65.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 73.02 110.346 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 39.4 t0 -98.51 -8.04 27.33 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 72.33 109.288 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.427 ' HG2' ' NH1' ' A' ' 98' ' ' ARG . 0.1 OUTLIER -98.3 -53.08 3.46 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.548 1.155 . . . . 64.44 110.321 179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . . . . . . . . . . . -57.28 -17.26 11.09 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 55.22 109.307 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.506 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.7 mtm180 -93.82 -58.83 2.14 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.494 1.121 . . . . 61.1 110.331 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 3.6 m-20 -53.78 -20.28 5.46 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.15 . . . . 34.12 109.283 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.4 ' NH1' ' HG3' ' A' ' 139' ' ' GLU . 9.2 mmp_? -84.62 -73.29 0.43 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 74.35 110.313 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.575 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -71.8 -56.24 6.12 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.569 1.168 . . . . 63.51 108.256 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.506 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 105.0 64.31 0.66 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.49 1.119 . . . . 54.13 110.978 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.78 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -146.43 -169.89 3.38 Favored 'General case' 0 C--N 1.325 -0.47 0 N-CA-C 107.997 -1.112 . . . . 73.13 107.997 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -114.34 66.16 0.67 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.527 1.142 . . . . 60.53 109.306 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.78 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.8 tt -70.15 -38.38 74.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 62.42 109.317 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.826 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -48.8 -23.87 1.23 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 62.11 109.296 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.411 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 87.97 28.35 23.61 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.536 1.148 . . . . 73.13 110.996 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.803 ' CB ' HD11 ' A' ' 155' ' ' ILE . 0.5 OUTLIER -76.98 169.63 20.31 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.463 0.743 . . . . 62.33 109.343 179.955 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 5.14 4.14 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.539 1.81 . . . . 61.14 110.956 -179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 86.38 -52.9 4.54 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.479 1.112 . . . . 62.42 111.014 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.0 t -76.13 58.0 1.18 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.462 0.742 . . . . 34.0 110.032 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.803 HD11 ' CB ' ' A' ' 151' ' ' ASP . 2.8 mt -84.6 156.18 3.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 74.01 109.285 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 9.6 mtp85 . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 75.24 110.334 -179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 34.0 t-80 . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.606 -0.516 . . . . 65.53 109.606 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.6 mtt -75.32 -177.41 3.51 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 75.12 111.004 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.08 -171.19 3.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.447 1.092 . . . . 55.05 109.341 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.455 ' C ' ' CG2' ' A' ' 4' ' ' THR . 33.6 m -124.5 84.81 2.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.519 1.137 . . . . 74.54 108.285 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.455 ' CG2' ' C ' ' A' ' 3' ' ' CYS . 12.6 p -150.64 174.84 12.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 74.31 110.393 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -89.76 -95.8 1.12 Allowed Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.482 1.114 . . . . 64.01 110.998 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.438 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.98 -163.33 0.18 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.5 1.789 . . . . 54.12 111.003 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.3 t 179.38 177.25 0.57 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 74.2 110.023 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.795 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -66.57 -53.14 31.04 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 74.12 109.293 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.498 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -74.97 -27.31 10.18 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.45 1.763 . . . . 74.33 111.048 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.411 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 10.0 t -49.77 -46.35 50.56 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 1.108 . . . . 61.15 110.014 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 1.035 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -64.23 -32.34 73.88 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.548 1.155 . . . . 62.42 109.337 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.6 OUTLIER -65.08 -34.17 77.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.25 110.994 179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -71.19 -35.15 71.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 74.21 109.299 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.9 HG21 ' SG ' ' A' ' 109' ' ' CYS . 9.7 mt -72.92 -17.94 18.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.498 1.124 . . . . 72.11 109.314 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.636 HD11 ' CD1' ' A' ' 43' ' ' LEU . 1.4 mt -71.14 -52.27 20.23 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 64.42 109.256 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -73.35 -2.14 58.8 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.55 1.156 . . . . 71.33 111.021 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -103.95 -23.89 13.31 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.429 0.723 . . . . 73.35 109.331 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.849 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -58.8 -66.68 0.46 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.493 1.121 . . . . 53.12 109.283 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.488 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 164.5 139.77 2.71 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.529 1.143 . . . . 75.54 110.952 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.2 tp60 -39.79 -64.8 0.45 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.511 0.771 . . . . 64.32 110.326 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.52 -24.2 66.45 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.542 1.151 . . . . 63.42 109.295 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.849 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -63.78 -17.12 62.75 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.434 1.084 . . . . 73.5 109.296 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.713 HD13 ' HB3' ' A' ' 50' ' ' LYS . 1.6 mt -91.57 -47.64 7.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.471 1.107 . . . . 75.33 109.29 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.45 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 76.6 mt -59.17 -51.08 71.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 1.12 . . . . 63.5 109.287 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.645 ' CD1' ' C ' ' A' ' 25' ' ' TYR . 0.0 OUTLIER -51.64 -61.35 2.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 72.34 111.013 179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 108' ' ' LEU . 42.7 mt -54.48 -40.41 68.44 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.102 . . . . 73.0 109.3 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.459 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 1.4 tmmt? -55.58 -51.72 66.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.55 1.156 . . . . 61.12 109.306 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.456 ' HA ' ' CG ' ' A' ' 31' ' ' LYS . 88.3 m-70 -75.19 -0.66 20.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 74.23 109.633 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.428 ' HB3' ' HA ' ' A' ' 26' ' ' LEU . 3.0 tptt -94.98 -41.91 8.92 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 1.134 . . . . 63.35 109.262 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.778 ' N ' HD23 ' A' ' 30' ' ' LEU . 1.0 OUTLIER -77.49 -11.48 59.86 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 61.42 109.319 179.983 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.456 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 12.2 mmtt -37.12 -33.34 0.06 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.13 . . . . 75.13 109.35 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.448 ' N ' ' O ' ' A' ' 30' ' ' LEU . 0.5 OUTLIER -118.4 120.41 32.06 Favored Pre-proline 0 C--N 1.326 -0.454 0 O-C-N 124.478 1.111 . . . . 54.31 110.394 179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.33 37.39 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.474 1.776 . . . . 45.44 111.031 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 4.2 mtp180 -110.04 162.74 19.2 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 75.23 110.272 -179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 97.59 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.504 1.792 . . . . 74.3 111.002 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 94.7 29.37 9.33 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.132 . . . . 71.04 111.013 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -107.43 125.34 51.11 Favored 'General case' 0 C--N 1.325 -0.465 0 N-CA-C 108.323 -0.991 . . . . 73.5 108.323 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -127.68 2.22 6.12 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.546 1.154 . . . . 74.53 110.329 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.504 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -105.34 -24.57 7.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.469 1.105 . . . . 44.41 111.025 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.692 ' O ' HD13 ' A' ' 30' ' ' LEU . 3.2 tt0 -82.87 -53.26 6.0 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 74.34 110.29 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.785 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.0 t0 -59.7 -40.94 89.58 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 75.43 109.303 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 1.055 HD21 HG21 ' A' ' 73' ' ' VAL . 1.8 tt -62.01 -52.33 64.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.095 . . . . 63.42 109.286 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.993 HD13 HD21 ' A' ' 99' ' ' LEU . 5.7 tp -57.88 -28.95 64.64 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.551 1.157 . . . . 74.11 109.287 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.518 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 7.7 t-160 -61.25 -27.49 68.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 72.32 109.581 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.563 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -89.55 -13.94 36.21 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.118 . . . . 64.51 109.291 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.56 ' SD ' HD11 ' A' ' 99' ' ' LEU . 49.4 mtp -98.16 -7.92 28.52 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.457 1.098 . . . . 72.23 111.013 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.968 HG23 ' O ' ' A' ' 43' ' ' LEU . 50.8 t -95.24 -53.26 8.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.512 1.133 . . . . 74.21 109.269 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.611 HD12 ' HB2' ' A' ' 53' ' ' GLN . 1.0 OUTLIER -41.32 -41.8 2.03 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.53 1.144 . . . . 71.54 109.317 179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.731 HD22 ' HB3' ' A' ' 77' ' ' TRP . 1.2 mp -60.25 -48.55 81.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 64.31 109.306 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.713 ' HB3' HD13 ' A' ' 23' ' ' LEU . 0.5 OUTLIER -41.29 -29.19 0.13 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.485 1.116 . . . . 61.32 109.293 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.554 HD21 ' HB2' ' A' ' 23' ' ' LEU . 2.8 mt -97.36 -37.67 9.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.564 1.165 . . . . 71.44 109.317 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 111.75 19.19 7.48 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.503 1.127 . . . . 61.41 111.013 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.611 ' HB2' HD12 ' A' ' 48' ' ' LEU . 3.1 mt-30 -116.56 59.55 0.74 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.543 0.79 . . . . 73.3 110.305 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' ALA . 2.2 pt-20 -61.74 -20.26 63.33 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.483 1.114 . . . . 62.22 110.258 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.4 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.86 -44.19 0.74 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.487 1.117 . . . . 61.23 110.384 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.422 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.9 mp0 -79.58 -41.13 27.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.458 1.099 . . . . 72.52 110.331 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -47.78 -33.32 7.02 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.522 1.139 . . . . 53.31 109.304 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 71.9 mtp180 -68.13 -36.52 79.85 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 72.53 110.266 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.422 ' N ' ' O ' ' A' ' 56' ' ' GLU . 2.0 mp -67.77 -51.03 54.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.494 1.122 . . . . 73.31 109.308 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.521 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 1.4 m -56.13 -51.08 69.24 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 71.54 109.973 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.899 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.6 mt -50.73 -43.44 58.07 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 62.32 109.325 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -61.98 -29.61 70.37 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.527 1.142 . . . . 73.33 110.335 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.521 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -65.32 -12.57 53.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 1.118 . . . . 75.2 109.285 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.785 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.29 48.82 1.59 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.126 . . . . 74.45 109.277 -179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 33.7 mtpt -60.3 -15.8 28.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.523 1.139 . . . . 73.33 109.306 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.77 -25.34 26.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 72.44 109.301 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -91.3 110.33 21.62 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.513 1.133 . . . . 73.45 109.268 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.52 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -68.79 -8.69 45.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 61.33 109.342 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.555 HG21 ' HB2' ' A' ' 95' ' ' ALA . 0.9 OUTLIER -83.12 -31.48 8.83 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 73.12 109.257 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.899 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -68.04 -69.68 0.31 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 53.12 109.283 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.442 ' NH1' ' OE2' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -50.23 -21.5 1.37 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 72.11 110.311 -179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.886 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.2 OUTLIER -82.36 -34.06 28.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.529 1.143 . . . . 73.04 109.337 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 1.055 HG21 HD21 ' A' ' 42' ' ' LEU . 4.8 t -73.71 -6.79 8.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.149 . . . . 71.14 109.265 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.985 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -83.55 -36.27 24.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.491 1.119 . . . . 64.53 109.296 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.811 ' NH2' HD23 ' A' ' 72' ' ' LEU . 8.7 ptt-85 -97.92 -6.14 32.89 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.564 1.165 . . . . 73.22 110.318 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.519 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 4.4 tp-100 -89.4 -44.91 9.85 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 73.23 110.269 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.838 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.4 m-90 -108.9 -59.65 1.86 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.526 1.141 . . . . 64.11 107.967 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.985 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.9 -42.43 68.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 73.54 109.258 -179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.461 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 74.51 41.95 34.77 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.532 1.145 . . . . 64.31 110.969 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.672 HG23 ' H ' ' A' ' 82' ' ' SER . 23.2 m -61.09 -140.16 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 63.44 109.332 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.546 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.3 t0 -105.13 18.48 22.26 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 75.31 109.319 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.672 ' H ' HG23 ' A' ' 80' ' ' VAL . 45.5 p 36.98 57.9 1.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.486 1.116 . . . . 64.3 109.954 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 15.4 p -44.69 -25.34 0.27 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.501 1.125 . . . . 73.44 110.43 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.442 ' OE2' ' NH1' ' A' ' 71' ' ' ARG . 0.9 OUTLIER -88.35 -173.05 4.03 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.491 1.119 . . . . 73.23 110.264 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -106.38 171.98 4.3 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 62.4 109.277 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 77.98 3.01 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.465 1.771 . . . . 74.12 111.009 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 6.5 pt-20 -153.42 121.31 6.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 75.3 110.323 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.486 ' HB3' HG11 ' A' ' 92' ' ' VAL . 2.7 mt-10 -60.46 147.47 82.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.498 1.124 . . . . 64.14 110.298 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.524 ' HD2' HG13 ' A' ' 92' ' ' VAL . 18.2 Cg_endo -75.02 164.66 32.87 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.509 1.794 . . . . 73.01 110.984 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -1.04 10.68 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.533 1.807 . . . . 75.11 111.055 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.475 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 44.1 m-20 -119.23 26.94 9.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 74.15 109.334 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.764 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -43.82 -79.17 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.539 1.149 . . . . 64.32 109.32 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.446 ' H ' HG23 ' A' ' 92' ' ' VAL . 58.8 m -68.34 -47.67 66.88 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.488 1.118 . . . . 74.21 109.985 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.1 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.0 t90 -40.16 -68.39 0.18 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 1.126 . . . . 63.5 108.01 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.555 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -39.73 -55.24 1.96 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.118 . . . . 64.11 109.304 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.764 HG23 ' O ' ' A' ' 92' ' ' VAL . 22.0 t -48.85 -44.52 15.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.115 . . . . 63.3 109.323 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.482 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -66.89 -30.15 70.23 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 74.23 109.276 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.445 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 55.4 mtt180 -80.43 -22.82 40.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 75.11 110.28 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.993 HD21 HD13 ' A' ' 43' ' ' LEU . 5.3 tt -81.97 -48.15 11.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.459 1.099 . . . . 75.22 109.303 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 1.035 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 8.9 m-85 -66.73 -27.77 67.89 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.507 1.13 . . . . 73.14 110.984 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.441 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 3.6 t60 -53.8 -29.15 39.25 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 63.4 109.61 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.504 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 1.7 mt -87.85 -40.52 13.93 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 72.21 109.327 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.425 HD22 HD12 ' A' ' 108' ' ' LEU . 96.0 mt -61.81 -14.58 34.27 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 75.11 109.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.936 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.85 -23.03 58.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 52.44 109.28 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -99.85 -20.21 16.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.512 1.133 . . . . 71.12 110.322 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.462 ' CB ' ' HG ' ' A' ' 108' ' ' LEU . 67.3 mm-40 -79.5 -8.76 59.36 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 75.4 110.319 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . 0.562 ' HZ2' ' HB3' ' A' ' 107' ' ' LYS . 1.0 OUTLIER 67.83 20.22 9.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 74.11 109.275 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.624 HD11 HD11 ' A' ' 26' ' ' LEU . 35.2 mt -91.58 -37.82 12.86 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.442 1.089 . . . . 74.03 109.304 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.9 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -137.03 148.73 63.98 Favored Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.501 1.125 . . . . 73.25 108.305 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 167.93 25.95 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.483 1.78 . . . . 63.21 111.035 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -79.83 -4.99 54.53 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.528 1.143 . . . . 73.03 109.327 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.402 ' HA ' ' OD1' ' A' ' 115' ' ' ASP . 16.1 m -75.82 -8.02 55.87 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 74.24 110.002 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.9 mt -100.62 -27.04 13.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.511 1.132 . . . . 64.54 109.262 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.936 HH21 ' CB ' ' A' ' 104' ' ' ALA . 13.0 ttm180 -73.5 -28.15 61.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 71.15 110.316 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.456 ' CG ' ' N ' ' A' ' 116' ' ' VAL . 2.0 p30 -77.81 -50.57 12.04 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.557 1.161 . . . . 43.41 109.315 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.456 ' N ' ' CG ' ' A' ' 115' ' ' ASP . 60.3 t -61.71 -34.48 62.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.475 1.109 . . . . 72.22 109.297 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.14 -40.55 90.7 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.535 1.147 . . . . 74.02 109.276 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.892 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.8 m-85 -65.77 -43.59 88.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.517 1.136 . . . . 63.22 111.006 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.476 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.2 mt-30 -52.94 -50.22 64.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 73.52 110.32 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . 0.426 ' HB3' ' NH2' ' A' ' 123' ' ' ARG . 49.2 mt-10 -64.22 -10.75 25.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 75.12 110.361 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.439 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -96.57 -29.08 14.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 72.11 109.336 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.892 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.07 -29.07 9.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.145 . . . . 61.11 109.286 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.548 ' CD ' ' N ' ' A' ' 124' ' ' THR . 0.0 OUTLIER -79.83 -21.06 44.65 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 74.43 110.327 179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.661 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -82.62 -40.02 21.36 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.522 1.139 . . . . 70.31 110.398 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.661 HD13 HG22 ' A' ' 124' ' ' THR . 4.8 mp -80.67 -36.52 32.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.489 1.118 . . . . 74.33 109.269 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 29.7 t -68.09 -37.84 81.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.497 1.123 . . . . 74.23 109.998 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 11.4 t -63.99 -43.88 94.36 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.48 1.113 . . . . 65.51 109.986 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.452 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -89.94 -5.27 56.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.497 1.123 . . . . 63.44 110.313 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.447 ' N ' ' O ' ' A' ' 125' ' ' LEU . 45.1 t0 54.74 43.38 30.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 73.53 109.295 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.452 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 20.3 t0 -52.13 177.54 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.484 1.115 . . . . 71.12 109.276 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.2 p80 -98.24 2.37 48.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.133 . . . . 62.2 109.6 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -115.2 -3.26 12.55 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 71.42 110.306 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.695 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.8 tm? -47.25 -69.6 0.12 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 71.22 109.315 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.695 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.6 -34.2 13.82 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.483 1.114 . . . . 71.1 110.995 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -68.05 -32.86 73.5 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 0.773 . . . . 73.5 110.317 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.1 HD13 ' CE2' ' A' ' 94' ' ' TRP . 32.9 tp -72.08 -41.8 66.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.443 1.09 . . . . 70.33 109.263 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.794 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 40.6 mm-40 -62.81 -13.57 35.05 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 72.02 110.278 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 23.0 t70 -106.66 -4.81 19.13 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.495 1.122 . . . . 75.41 109.267 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.4 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 8.6 tt0 -99.33 -45.32 5.9 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 53.44 110.298 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.491 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -69.5 -13.99 62.63 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.478 1.111 . . . . 53.42 109.26 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.491 ' O ' ' N ' ' A' ' 145' ' ' GLY . 28.0 mtm180 -92.92 -61.19 1.63 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.53 1.144 . . . . 74.53 110.304 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -50.55 -22.23 1.89 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.553 1.158 . . . . 71.24 109.255 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.441 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 13.6 mmp_? -84.7 -78.79 0.24 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 73.42 110.328 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.576 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -64.49 -55.21 22.24 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.5 1.125 . . . . 75.52 108.281 -179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.5 69.01 0.84 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 60.54 111.023 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.943 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -151.13 -170.57 3.7 Favored 'General case' 0 C--N 1.325 -0.474 0 N-CA-C 107.976 -1.12 . . . . 71.02 107.976 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -114.49 63.75 0.67 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.505 1.128 . . . . 74.33 109.278 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.943 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 6.8 tt -72.35 -18.36 19.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.526 1.141 . . . . 64.35 109.271 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.794 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -71.23 -6.92 43.36 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 72.42 109.293 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 96.06 -18.72 56.94 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.551 1.157 . . . . 55.33 111.047 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.566 ' HB3' HD11 ' A' ' 155' ' ' ILE . 6.1 m-20 -49.99 149.79 4.6 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.514 0.773 . . . . 64.22 109.292 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 0.74 8.51 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.554 1.818 . . . . 71.21 111.003 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.56 -45.43 1.87 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.56 1.163 . . . . 53.42 111.01 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.2 t -75.22 62.47 1.25 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.527 0.781 . . . . 75.4 110.019 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.566 HD11 ' HB3' ' A' ' 151' ' ' ASP . 1.3 pp -151.27 164.13 2.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 73.15 109.333 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 11.4 mtt180 . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.089 . . . . 71.25 110.339 179.985 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . 0.531 ' CG ' ' O ' ' A' ' 0' ' ' HIS . 0.3 OUTLIER . . . . . 0 N--CA 1.454 -0.266 0 N-CA-C 109.566 -0.531 . . . . 64.24 109.566 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.6 mmt 65.84 29.0 10.67 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.516 1.135 . . . . 74.54 110.983 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -85.04 -46.77 10.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.464 1.103 . . . . 52.53 109.341 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.8 p -127.32 44.22 2.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 52.33 108.295 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 13.9 t -95.21 153.93 17.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.523 1.139 . . . . 75.31 110.423 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -159.94 -83.58 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.522 1.139 . . . . 63.1 111.026 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.568 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.3 Cg_endo -75.0 -168.14 0.49 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.523 1.801 . . . . 73.41 110.991 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -170.64 177.83 3.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.51 1.131 . . . . 71.35 110.02 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.84 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.09 -52.75 15.27 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 72.11 109.287 179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.501 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.02 -29.32 8.31 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.505 1.792 . . . . 65.54 111.019 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 28.4 t -47.71 -45.47 28.65 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 64.35 109.999 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.804 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.89 -30.74 71.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 62.21 109.298 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.776 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.5 OUTLIER -68.78 -36.89 78.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 74.44 111.044 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -71.08 -35.16 71.76 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.44 1.087 . . . . 71.53 109.27 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.718 HD12 ' HA ' ' A' ' 11' ' ' ALA . 9.8 mt -70.66 -26.06 27.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.546 1.154 . . . . 70.12 109.317 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.878 HD11 HD21 ' A' ' 43' ' ' LEU . 1.6 mt -61.11 -50.78 71.83 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.53 1.143 . . . . 71.43 109.272 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -71.07 -5.3 58.22 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 70.42 110.964 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -104.69 15.34 28.14 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.52 0.777 . . . . 73.11 109.34 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -99.67 -61.2 1.4 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 71.14 109.315 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.446 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 154.96 132.77 1.64 Allowed Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.48 1.112 . . . . 72.01 111.009 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.417 ' C ' ' O ' ' A' ' 19' ' ' GLY . 40.8 tp60 -37.29 -56.06 0.98 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.499 0.764 . . . . 75.12 110.288 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -64.29 -40.73 96.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.05 109.307 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.786 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.2 tptt -47.49 -31.59 4.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.133 . . . . 71.42 109.286 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.473 ' N ' HD13 ' A' ' 23' ' ' LEU . 0.0 OUTLIER -71.86 -52.1 19.06 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 41.14 109.3 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.583 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.6 mm? -53.52 -50.13 66.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 63.43 109.258 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.544 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.2 OUTLIER -52.41 -74.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.149 . . . . 74.42 110.99 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.568 HD11 ' OE2' ' A' ' 106' ' ' GLU . 33.8 mt -42.94 -43.3 4.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.56 1.163 . . . . 71.2 109.27 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' HB2' HG11 ' A' ' 47' ' ' VAL . 0.0 OUTLIER -53.49 -52.79 58.45 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 1.113 . . . . 54.33 109.269 -179.974 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.583 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.9 m-70 -62.8 -12.97 27.89 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 75.11 109.609 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -86.68 -50.62 6.66 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.5 1.125 . . . . 65.53 109.305 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.841 HD12 ' HA ' ' A' ' 44' ' ' HIS . 0.6 OUTLIER -63.64 -13.27 40.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.544 1.152 . . . . 70.41 109.321 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.435 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 21.0 mmtt -38.78 -40.83 0.66 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 51.44 109.336 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.46 ' CG2' ' NH1' ' A' ' 34' ' ' ARG . 0.5 OUTLIER -119.91 120.55 30.29 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 71.32 110.443 179.938 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.45 40.11 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.542 1.812 . . . . 74.4 111.012 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.46 ' NH1' ' CG2' ' A' ' 32' ' ' THR . 7.6 mmm180 -103.34 163.43 17.48 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.45 1.094 . . . . 71.42 110.29 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 97.62 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.491 1.785 . . . . 63.12 110.963 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 97.74 22.76 15.16 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.5 1.125 . . . . 72.22 111.027 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -102.47 125.19 49.11 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.278 -1.008 . . . . 70.4 108.278 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.91 0.63 6.63 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 75.22 110.305 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.493 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -100.52 -28.41 7.12 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 73.31 110.984 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.784 ' HG2' HD22 ' A' ' 30' ' ' LEU . 5.0 tt0 -78.89 -56.78 4.14 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.558 0.799 . . . . 73.32 110.341 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.783 ' CB ' HD21 ' A' ' 64' ' ' LEU . 6.3 t0 -53.14 -40.16 64.04 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 74.41 109.326 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.954 HD21 HG21 ' A' ' 73' ' ' VAL . 0.4 OUTLIER -63.4 -54.74 31.97 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 71.45 109.251 -179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.96 HD11 HD21 ' A' ' 103' ' ' LEU . 1.1 tt -54.34 -27.62 37.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 70.4 109.291 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.841 ' HA ' HD12 ' A' ' 30' ' ' LEU . 9.0 t-160 -60.54 -33.83 73.25 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 74.15 109.61 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.456 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -78.49 -29.16 46.53 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.437 1.085 . . . . 74.42 109.255 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.425 ' HE2' ' HB3' ' A' ' 46' ' ' MET . 84.9 mtp -83.64 -9.47 58.86 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.098 . . . . 74.33 111.01 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.618 HG23 ' CD2' ' A' ' 43' ' ' LEU . 14.2 t -95.23 -53.94 7.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.505 1.128 . . . . 70.01 109.33 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.486 HD13 ' HA ' ' A' ' 48' ' ' LEU . 0.7 OUTLIER -40.27 -45.39 2.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 71.04 109.307 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD2' ' HB3' ' A' ' 54' ' ' GLU . 12.8 mt -55.6 -49.44 72.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.514 1.134 . . . . 63.44 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' HZ3' ' A' ' 50' ' ' LYS . 1.9 mmmp? -45.33 -26.6 0.55 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 71.04 109.322 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.595 ' N ' HD23 ' A' ' 51' ' ' LEU . 0.8 OUTLIER -92.07 -43.61 9.3 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.526 1.141 . . . . 73.22 109.303 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 115.64 16.86 6.76 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.474 1.109 . . . . 71.14 110.987 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.559 ' NE2' HD12 ' A' ' 51' ' ' LEU . 0.4 OUTLIER -126.06 83.24 2.14 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 0.775 . . . . 63.45 110.307 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.456 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 0.7 OUTLIER -77.34 -17.43 58.28 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.474 1.109 . . . . 62.45 110.302 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' GLU . 1.1 m -37.94 -34.92 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.535 1.147 . . . . 71.23 110.354 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.405 ' O ' ' N ' ' A' ' 59' ' ' ILE . 4.2 mp0 -89.51 -45.14 9.62 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 71.41 110.286 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.456 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -43.16 -41.01 3.54 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.482 1.113 . . . . 70.14 109.309 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.538 ' HA ' HD12 ' A' ' 61' ' ' LEU . 76.2 mtp180 -57.56 -46.2 84.21 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.556 1.16 . . . . 74.12 110.334 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.405 ' N ' ' O ' ' A' ' 56' ' ' GLU . 1.9 mp -59.21 -61.31 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.123 . . . . 70.54 109.29 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.31 -53.23 1.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 63.33 109.981 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.842 HD22 ' O ' ' A' ' 70' ' ' ALA . 2.6 mt -56.62 -47.13 80.35 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 71.31 109.328 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.405 ' N ' ' O ' ' A' ' 59' ' ' ILE . 41.6 tp10 -64.21 -15.15 59.39 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 75.12 110.286 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -91.73 17.26 9.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 60.13 109.327 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.783 HD21 ' CB ' ' A' ' 41' ' ' ASP . 2.8 mt -138.31 54.49 1.78 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 75.33 109.305 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.404 ' NZ ' ' HB3' ' A' ' 65' ' ' LYS . 9.1 mmmm -67.88 -9.86 48.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.526 1.141 . . . . 74.22 109.293 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -81.86 -23.41 36.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 51.24 109.304 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -110.21 139.27 45.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.493 1.121 . . . . 24.23 109.316 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.419 ' HA ' ' NE ' ' A' ' 71' ' ' ARG . . . -91.46 -18.35 24.32 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 55.53 109.3 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.867 HG11 ' CB ' ' A' ' 95' ' ' ALA . 0.3 OUTLIER -77.52 -17.4 14.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.469 1.106 . . . . 71.45 109.318 179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.842 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -69.11 -64.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.499 1.125 . . . . 63.25 109.324 179.952 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.558 ' O ' ' HB3' ' A' ' 74' ' ' ALA . 0.0 OUTLIER -56.75 -35.9 69.15 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.51 1.131 . . . . 72.13 110.314 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.781 ' C ' HD13 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -61.7 -31.11 71.23 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 75.12 109.333 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.954 HG21 HD21 ' A' ' 42' ' ' LEU . 10.3 t -76.59 -5.68 7.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 O-C-N 124.453 1.096 . . . . 54.2 109.309 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.935 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.05 -37.76 18.55 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 1.148 . . . . 72.13 109.301 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.496 ' CD ' ' O ' ' A' ' 82' ' ' SER . 6.9 ptt-85 -98.49 -8.09 27.28 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 71.05 110.304 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.489 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 1.1 tp-100 -88.04 -43.64 11.56 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.56 1.162 . . . . 73.41 110.3 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.84 ' CH2' HD22 ' A' ' 8' ' ' LEU . 20.5 m-90 -109.6 -58.23 2.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 75.31 108.018 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.935 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -59.49 -32.97 70.75 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 73.31 109.326 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 66.44 35.72 90.52 Favored Glycine 0 CA--C 1.529 0.949 0 O-C-N 124.448 1.093 . . . . 62.02 111.032 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.579 HG22 ' C ' ' A' ' 74' ' ' ALA . 15.8 m -53.78 -171.29 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.449 0.735 . . . . 75.34 109.316 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -91.35 17.1 8.87 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.148 . . . . 75.02 109.274 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.555 ' H ' HG23 ' A' ' 80' ' ' VAL . 54.5 m -75.79 55.19 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 55.04 109.955 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.533 ' O ' ' O ' ' A' ' 84' ' ' GLU . 0.0 OUTLIER -60.0 -4.15 0.7 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.45 1.094 . . . . 53.02 110.411 179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.533 ' O ' ' O ' ' A' ' 83' ' ' THR . 4.6 mm-40 -48.58 -171.89 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.494 1.121 . . . . 73.24 110.338 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.424 ' CG ' ' CG ' ' A' ' 87' ' ' GLU . 20.9 t0 -39.42 100.04 0.21 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 40.53 109.246 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.401 ' N ' ' O ' ' A' ' 84' ' ' GLU . 18.4 Cg_endo -74.97 -16.63 20.17 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.528 1.804 . . . . 73.34 110.982 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.424 ' CG ' ' CG ' ' A' ' 85' ' ' ASP . 0.3 OUTLIER -47.12 175.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 63.44 110.292 -179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.42 ' HA ' ' HD3' ' A' ' 89' ' ' PRO . 1.8 mt-10 -86.98 140.22 32.8 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.507 1.129 . . . . 74.3 110.291 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.82 ' HG2' HG23 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.97 175.98 10.51 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.485 1.782 . . . . 73.33 111.018 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . 0.409 ' HD2' ' HB2' ' A' ' 89' ' ' PRO . 18.3 Cg_endo -75.0 -2.4 12.49 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.523 1.801 . . . . 61.31 111.007 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -120.62 25.03 9.99 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 75.13 109.313 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -48.65 -44.1 14.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 71.53 109.326 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.452 ' O ' ' N ' ' A' ' 96' ' ' VAL . 2.7 m -106.42 -38.87 6.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.545 1.153 . . . . 61.32 110.016 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.058 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.4 t90 -46.05 -48.68 16.86 Favored 'General case' 0 C--N 1.326 -0.45 0 N-CA-C 107.975 -1.12 . . . . 74.42 107.975 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.867 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -58.73 -36.84 74.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.448 1.093 . . . . 63.14 109.289 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.452 ' N ' ' O ' ' A' ' 93' ' ' SER . 30.6 t -65.83 -18.86 24.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.556 1.16 . . . . 73.54 109.272 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.83 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -91.09 -32.84 15.71 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 63.04 109.319 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.585 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 43.1 mtt180 -84.02 -20.15 33.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 74.45 110.311 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.671 HD11 ' HG ' ' A' ' 43' ' ' LEU . 3.0 tp -85.05 -50.27 7.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.514 1.134 . . . . 74.34 109.307 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.804 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 7.5 m-85 -64.74 -27.47 68.92 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.477 1.111 . . . . 75.42 111.025 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.505 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 1.6 t60 -60.19 -18.86 51.16 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 62.44 109.621 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.543 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 7.7 mt -97.25 -24.7 15.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 72.31 109.265 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.96 HD21 HD11 ' A' ' 43' ' ' LEU . 48.2 mt -71.52 -23.17 61.73 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.462 1.101 . . . . 63.31 109.307 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -78.56 -2.36 38.46 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 61.45 109.279 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . 0.4 ' CD ' ' HA ' ' A' ' 102' ' ' LEU . 5.5 mt-10 -99.19 -18.76 17.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 54.33 110.351 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.758 ' OE1' HD23 ' A' ' 103' ' ' LEU . 2.2 pt-20 -106.84 -8.64 16.65 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.51 1.131 . . . . 72.1 110.267 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt 76.64 40.63 0.21 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.15 . . . . 71.03 109.33 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.73 HD12 HD22 ' A' ' 103' ' ' LEU . 9.2 mt -95.84 -39.51 9.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.535 1.147 . . . . 43.33 109.293 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 14.9 p -140.64 147.71 50.04 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.113 . . . . 52.3 108.267 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.421 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.6 Cg_endo -74.96 146.4 32.79 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.487 1.782 . . . . 60.15 111.061 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -46.18 -25.31 0.58 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 73.24 109.273 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.974 ' O ' HG23 ' A' ' 116' ' ' VAL . 70.1 m -51.63 -45.37 63.28 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.502 1.126 . . . . 72.14 110.0 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.23 -31.98 71.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.492 1.12 . . . . 71.3 109.324 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.551 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 3.0 ttp180 -66.52 -30.35 70.65 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.496 1.122 . . . . 73.44 110.317 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.3 OUTLIER -84.0 -47.18 11.25 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 72.1 109.279 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.974 HG23 ' O ' ' A' ' 112' ' ' SER . 22.1 t -57.7 -36.96 56.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 73.02 109.298 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.11 -40.58 90.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.492 1.12 . . . . 72.15 109.314 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.83 ' CD1' ' HB1' ' A' ' 97' ' ' ALA . 2.9 m-85 -65.95 -45.95 79.91 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.461 1.101 . . . . 73.12 110.975 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.8 mt-30 -51.0 -53.32 34.34 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.462 1.101 . . . . 72.23 110.283 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 23.3 mt-10 -56.81 -17.16 8.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.507 1.129 . . . . 72.32 110.31 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.5 ' O ' ' CD2' ' A' ' 136' ' ' LEU . . . -102.78 -19.01 14.88 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.53 1.144 . . . . 74.12 109.326 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.629 HG13 ' OE1' ' A' ' 137' ' ' GLN . 29.7 t -85.81 -25.37 6.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 63.22 109.319 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.429 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -87.46 -29.15 21.62 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.48 1.113 . . . . 72.55 110.282 -179.975 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.429 ' N ' ' HG3' ' A' ' 123' ' ' ARG . 1.9 t -69.62 -45.69 67.94 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.448 1.093 . . . . 74.23 110.42 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.913 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.4 mp -65.79 -43.42 88.79 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 65.14 109.318 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.51 ' OG ' HD21 ' A' ' 133' ' ' LEU . 15.8 m -64.19 -46.19 85.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.463 1.102 . . . . 73.22 109.949 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 7.2 m -54.08 -54.52 38.24 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 73.53 110.001 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.407 ' NE ' HD12 ' A' ' 125' ' ' LEU . 7.9 ptt180 -81.52 -4.46 56.03 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.48 1.113 . . . . 74.52 110.285 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.446 ' N ' ' O ' ' A' ' 125' ' ' LEU . 30.4 t0 45.22 57.74 4.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.512 1.132 . . . . 74.55 109.333 -179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . . . . . . . . . 9.5 t0 -74.04 -174.56 1.92 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.109 . . . . 74.13 109.323 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -98.27 0.55 45.9 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.451 1.094 . . . . 75.24 109.611 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.553 ' O ' HD23 ' A' ' 125' ' ' LEU . 0.1 OUTLIER -110.14 10.08 23.93 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.535 1.147 . . . . 70.31 110.318 -179.996 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.51 HD21 ' OG ' ' A' ' 126' ' ' SER . 2.9 tm? -61.51 -70.51 0.18 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 73.12 109.302 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.458 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.54 -28.23 28.55 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.53 1.144 . . . . 42.31 111.014 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -68.61 -30.78 69.58 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 0.775 . . . . 70.21 110.293 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.058 HD13 ' CE2' ' A' ' 94' ' ' TRP . 47.6 tp -80.43 -38.14 30.72 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 73.24 109.302 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.632 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 42.7 mm-40 -62.35 -15.28 47.45 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 72.0 110.316 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -107.18 -3.82 19.45 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 71.54 109.288 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 10.6 tt0 -99.24 -46.66 5.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.513 1.133 . . . . 70.32 110.336 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.46 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -68.4 -10.7 56.96 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.507 1.13 . . . . 51.22 109.3 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 55.7 mtm180 -97.5 -59.33 1.8 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 75.54 110.311 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -50.07 -22.43 1.63 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 64.43 109.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.505 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 15.1 mmp_? -86.13 -78.55 0.27 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.548 1.155 . . . . 64.35 110.29 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.588 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.8 -55.64 16.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.508 1.13 . . . . 63.41 108.273 -179.954 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.479 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.0 68.88 0.85 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.497 1.123 . . . . 72.44 110.968 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.973 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -149.28 -169.88 3.49 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 107.997 -1.112 . . . . 75.44 107.997 179.95 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 57.8 m-20 -113.59 61.2 0.65 Allowed 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.436 1.085 . . . . 63.44 109.34 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.973 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.7 tt -72.22 -18.09 19.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 74.12 109.335 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -61.47 -15.0 33.36 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.469 1.105 . . . . 75.5 109.301 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 105.29 -9.66 46.07 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.548 1.155 . . . . 71.23 110.988 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 35.4 m-20 -51.5 141.43 23.92 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.482 0.754 . . . . 72.21 109.246 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.2 Cg_endo -75.07 0.34 9.05 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.491 1.785 . . . . 74.12 110.971 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.05 -48.39 0.97 Allowed Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.461 1.101 . . . . 64.43 110.993 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.6 m -74.13 64.42 1.05 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 0.784 . . . . 64.32 109.957 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 4.4 mm -134.94 153.59 34.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.519 1.137 . . . . 61.15 109.289 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 2.2 tpm_? . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 75.41 110.323 179.953 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 10.2 p-80 . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 109.593 -0.521 . . . . 61.02 109.593 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.3 mtt -109.34 59.79 0.6 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.531 1.145 . . . . 62.43 111.051 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -174.73 152.17 1.56 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 34.24 109.293 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 28.4 p -91.49 46.73 1.31 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.46 1.1 . . . . 73.21 108.268 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.741 ' CG2' HG21 ' A' ' 116' ' ' VAL . 13.3 m -139.94 155.5 47.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.522 1.139 . . . . 73.41 110.413 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . 0.459 ' HA2' HG11 ' A' ' 116' ' ' VAL . . . 98.46 78.76 1.41 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.528 1.143 . . . . 32.0 111.025 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.676 ' HB3' HD12 ' A' ' 113' ' ' LEU . 18.4 Cg_endo -74.96 -170.48 0.78 Allowed 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.487 1.783 . . . . 61.3 111.022 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.553 ' C ' HG11 ' A' ' 96' ' ' VAL . 1.2 m -170.06 -177.82 2.67 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 75.41 109.969 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.489 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -69.81 -53.99 10.99 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 74.21 109.233 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.478 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.4 Cg_endo -75.0 -30.63 6.95 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.462 1.769 . . . . 72.35 111.005 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.8 t -47.14 -46.21 23.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 52.24 109.957 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.579 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -60.53 -31.73 70.8 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.498 1.124 . . . . 73.23 109.334 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.813 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.7 OUTLIER -70.25 -36.48 74.48 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.459 1.099 . . . . 61.02 110.985 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.1 t0 -67.23 -52.55 39.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 61.11 109.251 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.424 ' HA ' ' HB3' ' A' ' 17' ' ' ALA . 6.9 mt -61.87 -24.14 33.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 74.13 109.3 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.68 -51.93 62.91 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 62.23 109.343 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.468 ' CA ' ' CE ' ' A' ' 50' ' ' LYS . . . -74.15 -14.46 80.49 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.448 1.093 . . . . 73.32 110.978 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.424 ' HB3' ' HA ' ' A' ' 14' ' ' ILE . . . -86.35 3.29 44.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.499 0.764 . . . . 72.21 109.309 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.872 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -83.06 -70.2 0.57 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 55.34 109.239 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 170.91 136.8 2.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.495 1.122 . . . . 44.02 111.016 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.415 ' C ' ' O ' ' A' ' 19' ' ' GLY . 51.2 tp60 -37.41 -60.99 0.63 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.501 0.766 . . . . 71.12 110.288 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 1.8 p30 -64.03 -35.18 79.89 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.511 1.132 . . . . 62.41 109.312 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.872 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 1.6 tptt -49.1 -30.64 6.78 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.507 1.129 . . . . 73.53 109.311 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.581 HD23 ' HB3' ' A' ' 50' ' ' LYS . 0.0 OUTLIER -72.6 -56.29 5.56 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.51 1.131 . . . . 64.41 109.274 -179.97 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.584 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 2.4 mm? -50.01 -52.43 34.07 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.552 1.157 . . . . 72.51 109.286 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.502 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.4 OUTLIER -51.79 -73.91 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.096 . . . . 74.42 110.98 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.502 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 62.7 mt -39.65 -46.51 1.84 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.459 1.099 . . . . 73.41 109.268 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.476 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -53.08 -52.72 57.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.452 1.095 . . . . 74.22 109.3 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.584 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 97.7 m-70 -61.38 -14.25 26.23 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.468 1.105 . . . . 73.22 109.576 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.5 tttt -86.33 -49.92 7.31 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.501 1.125 . . . . 72.2 109.292 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.785 HD22 ' CG ' ' A' ' 40' ' ' GLN . 0.6 OUTLIER -63.24 -13.69 40.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.542 1.151 . . . . 50.41 109.297 -179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.434 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 29.7 mmtt -39.4 -33.94 0.18 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 72.23 109.314 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -123.52 109.48 30.73 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.125 . . . . 65.21 110.409 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 150.8 38.62 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.502 1.79 . . . . 75.2 111.037 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.43 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.9 OUTLIER -91.36 160.51 36.89 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.438 1.086 . . . . 74.24 110.323 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.03 97.51 1.09 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.494 1.786 . . . . 71.2 111.043 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 105.92 9.38 32.53 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.513 1.133 . . . . 73.23 111.011 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -90.39 126.85 36.02 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.317 -0.994 . . . . 75.03 108.317 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.417 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.4 2.69 5.66 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.137 . . . . 51.35 110.281 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.507 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -103.63 -25.14 7.42 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.476 1.11 . . . . 52.31 111.018 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.785 ' CG ' HD22 ' A' ' 30' ' ' LEU . 7.3 tt0 -83.6 -55.59 4.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 74.32 110.292 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.89 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.8 t0 -57.28 -40.52 77.92 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.148 . . . . 60.22 109.308 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.697 HD11 HG21 ' A' ' 73' ' ' VAL . 18.1 tp -62.08 -48.93 78.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 53.41 109.305 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.947 ' O ' HG23 ' A' ' 47' ' ' VAL . 55.0 tp -60.13 -31.98 70.58 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.524 1.14 . . . . 63.32 109.299 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.63 ' HA ' HD12 ' A' ' 30' ' ' LEU . 4.1 t-160 -60.1 -23.71 64.05 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 73.24 109.63 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.546 ' HA ' ' HB1' ' A' ' 57' ' ' ALA . . . -82.96 -20.65 34.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 53.34 109.253 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.572 ' HB3' ' CE2' ' A' ' 12' ' ' PHE . 26.7 mtp -97.38 -11.1 24.35 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 1.131 . . . . 74.23 110.986 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.947 HG23 ' O ' ' A' ' 43' ' ' LEU . 44.5 t -87.98 -58.11 3.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 73.5 109.245 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.738 HD13 HD12 ' A' ' 51' ' ' LEU . 1.4 mm? -40.82 -33.64 0.32 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.455 1.097 . . . . 74.2 109.297 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.471 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 1.4 mt -61.31 -52.77 63.29 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.454 1.096 . . . . 72.53 109.297 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.581 ' HB3' HD23 ' A' ' 23' ' ' LEU . 4.7 mmmt -51.93 -21.78 3.3 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 73.24 109.27 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.738 HD12 HD13 ' A' ' 48' ' ' LEU . 2.7 mt -88.96 -43.13 11.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.494 1.122 . . . . 62.23 109.282 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 109.33 21.58 7.22 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.468 1.105 . . . . 62.0 111.003 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -135.85 79.04 1.75 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.508 0.769 . . . . 75.13 110.327 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.434 ' C ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -69.52 -19.06 63.72 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.543 1.152 . . . . 70.04 110.357 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.502 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.1 m -39.69 -29.26 0.06 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.456 1.097 . . . . 64.33 110.389 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.434 ' N ' ' C ' ' A' ' 54' ' ' GLU . 1.1 mm-40 -93.94 -43.46 8.54 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 74.24 110.345 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.546 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.22 -36.54 3.97 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.495 1.122 . . . . 54.34 109.286 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HA ' HD12 ' A' ' 61' ' ' LEU . 72.2 mtp180 -68.37 -55.8 10.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.528 1.143 . . . . 75.23 110.334 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.502 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.1 mp -47.68 -46.92 11.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.499 1.124 . . . . 63.45 109.289 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.469 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.8 OUTLIER -59.03 -49.08 79.26 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 1.098 . . . . 62.21 109.976 -179.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.647 HD13 ' HA ' ' A' ' 74' ' ' ALA . 12.6 mt -55.24 -42.18 73.1 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.454 1.096 . . . . 73.43 109.3 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.0 tt0 -69.42 -16.03 63.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.511 1.132 . . . . 55.14 110.347 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.469 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -83.25 5.62 22.4 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 75.44 109.291 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.89 HD21 ' CB ' ' A' ' 41' ' ' ASP . 7.7 mt -122.04 49.43 1.57 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 43.14 109.346 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 13.4 mmmm -54.02 -22.92 11.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.14 . . . . 72.14 109.279 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -93.38 28.38 2.26 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.538 1.149 . . . . 61.11 109.296 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -150.13 132.01 15.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 60.44 109.268 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.489 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -89.88 -24.29 21.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 70.4 109.298 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.704 HG21 ' HB2' ' A' ' 95' ' ' ALA . 6.1 t -66.48 -14.73 18.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.111 . . . . 71.03 109.337 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.537 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -77.44 -48.54 16.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.49 1.119 . . . . 43.41 109.335 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.43 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.1 OUTLIER -66.35 -22.9 66.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 75.02 110.264 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.548 ' O ' HD22 ' A' ' 72' ' ' LEU . 1.2 tm? -89.08 -41.97 12.0 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 64.52 109.326 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.697 HG21 HD11 ' A' ' 42' ' ' LEU . 25.0 t -69.45 -8.84 11.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.127 . . . . 73.13 109.32 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.065 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -81.13 -39.43 25.61 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 61.54 109.296 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.43 ' NH1' ' O ' ' A' ' 71' ' ' ARG . 0.5 OUTLIER -98.39 -6.02 31.5 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.476 1.11 . . . . 72.55 110.291 -179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.565 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.9 OUTLIER -84.34 -44.47 13.76 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 73.45 110.29 -179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.813 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 27.0 m-90 -116.49 -62.08 1.64 Allowed 'General case' 0 C--N 1.324 -0.507 0 N-CA-C 107.97 -1.122 . . . . 74.21 107.97 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.065 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -41.3 -29.0 0.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.112 . . . . 74.12 109.257 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' C ' ' A' ' 77' ' ' TRP . . . 79.37 20.49 69.22 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.476 1.11 . . . . 65.13 110.993 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.665 HG21 ' HB1' ' A' ' 74' ' ' ALA . 2.8 t -42.4 165.93 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.516 0.774 . . . . 72.24 109.309 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' A' ' 83' ' ' THR . 0.6 OUTLIER -75.73 54.04 0.77 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.144 . . . . 41.51 109.329 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.569 ' C ' ' O ' ' A' ' 81' ' ' ASP . 29.4 p -24.17 89.29 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 62.5 109.956 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.593 ' N ' ' O ' ' A' ' 81' ' ' ASP . 0.0 OUTLIER -104.4 -7.37 19.94 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 62.11 110.398 179.973 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 26.7 mt-10 -91.58 -165.76 1.42 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 72.45 110.345 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -93.82 161.56 29.74 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.516 1.135 . . . . 64.11 109.265 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 0.23 9.16 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.46 1.769 . . . . 70.31 111.031 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -48.97 115.28 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 73.44 110.348 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -69.5 151.41 96.7 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.519 1.137 . . . . 62.02 110.3 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.574 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -75.01 171.84 17.53 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.514 1.797 . . . . 50.33 111.041 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.52 20.16 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.529 1.805 . . . . 74.1 111.029 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.523 ' HB2' HG21 ' A' ' 69' ' ' VAL . 0.6 OUTLIER -119.51 25.27 10.16 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.508 1.13 . . . . 74.01 109.3 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.433 ' H ' HG12 ' A' ' 92' ' ' VAL . 0.2 OUTLIER -39.84 -45.58 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 52.52 109.296 -179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.41 -42.23 5.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 51.1 109.98 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.105 ' CE2' HD13 ' A' ' 136' ' ' LEU . 4.3 t90 -45.97 -56.38 5.58 Favored 'General case' 0 C--N 1.325 -0.476 0 N-CA-C 108.002 -1.11 . . . . 75.2 108.002 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.704 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -47.23 -42.41 20.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 63.12 109.3 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.553 HG11 ' C ' ' A' ' 7' ' ' SER . 14.8 t -62.73 -39.49 85.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 71.45 109.301 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . . . . . . . . . . . -64.17 -26.36 68.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.116 . . . . 64.24 109.27 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.417 ' HD3' ' NE2' ' A' ' 38' ' ' GLN . 18.2 mtt180 -85.96 -23.64 26.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.499 1.124 . . . . 74.23 110.327 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.806 HD13 ' HB2' ' A' ' 43' ' ' LEU . 1.3 tp -74.53 -45.94 42.35 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.129 . . . . 74.11 109.277 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.579 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -67.54 -33.84 75.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.486 1.116 . . . . 75.35 111.024 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -49.71 -27.69 5.12 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 72.43 109.572 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.512 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 2.7 mt -90.72 -35.86 14.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.434 1.084 . . . . 54.53 109.267 -179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.478 HD22 HD12 ' A' ' 108' ' ' LEU . 39.8 mt -62.69 -23.15 66.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.49 1.119 . . . . 75.54 109.325 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -73.02 -12.75 61.04 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.51 1.131 . . . . 52.3 109.333 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -99.87 -19.55 16.6 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.497 1.123 . . . . 65.54 110.31 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.452 ' OE1' HD21 ' A' ' 26' ' ' LEU . 24.9 mm-40 -83.87 -18.58 37.03 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.542 1.151 . . . . 51.51 110.262 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 24.9 mmmt 77.09 44.26 0.1 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.541 1.151 . . . . 52.14 109.306 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.478 HD12 HD22 ' A' ' 103' ' ' LEU . 21.8 mt -112.23 -37.85 4.9 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.46 1.1 . . . . 55.43 109.283 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 8.9 p -136.29 154.97 77.52 Favored Pre-proline 0 C--N 1.324 -0.521 0 O-C-N 124.509 1.131 . . . . 45.41 108.342 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 165.99 30.11 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.49 1.784 . . . . 72.14 110.979 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -68.98 -9.23 51.24 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.449 1.093 . . . . 71.31 109.31 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.447 ' O ' HG23 ' A' ' 116' ' ' VAL . 3.1 m -62.99 -53.49 53.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 51.32 110.026 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.676 HD12 ' HB3' ' A' ' 6' ' ' PRO . 0.2 OUTLIER -52.03 -37.42 53.41 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 55.34 109.276 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.61 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.2 ttp180 -62.43 -30.24 71.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.528 1.143 . . . . 62.5 110.279 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.564 ' HB2' ' CH2' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -81.86 -48.53 11.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.498 1.124 . . . . 75.12 109.295 -179.944 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.741 HG21 ' CG2' ' A' ' 4' ' ' THR . 25.1 t -56.76 -37.48 53.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.494 1.121 . . . . 71.31 109.284 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -67.11 -43.86 81.4 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.501 1.126 . . . . 64.42 109.304 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.61 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 3.3 m-85 -62.13 -43.38 98.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 71.32 111.021 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 85.7 mt-30 -54.12 -63.14 1.25 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.546 1.154 . . . . 73.53 110.319 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -54.14 -19.16 4.57 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.522 1.139 . . . . 73.51 110.301 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . . . . . . . . . . . -87.95 -30.66 19.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.14 . . . . 54.34 109.324 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.646 HG22 HE22 ' A' ' 137' ' ' GLN . 49.1 t -73.53 -27.07 22.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 61.11 109.315 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.455 ' O ' ' N ' ' A' ' 125' ' ' LEU . 14.7 mmt180 -75.64 -67.7 0.64 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.444 1.09 . . . . 73.04 110.29 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.599 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -38.43 -29.84 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.553 1.158 . . . . 41.31 110.411 179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.652 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.8 mp -84.42 -65.96 0.95 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.521 1.138 . . . . 74.04 109.321 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.495 ' N ' HD23 ' A' ' 133' ' ' LEU . 12.9 t -37.46 -46.05 0.77 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.488 1.117 . . . . 62.53 109.969 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 4.4 m -54.69 -59.15 5.1 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.54 1.15 . . . . 54.51 110.016 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.416 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.6 OUTLIER -80.65 5.38 15.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 75.03 110.322 179.987 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.514 ' N ' ' O ' ' A' ' 125' ' ' LEU . 28.8 t0 45.22 38.02 3.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 61.31 109.241 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.433 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 16.5 t0 -40.65 153.38 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.483 1.114 . . . . 72.13 109.321 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 11.3 p80 -74.42 -6.52 48.71 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 62.32 109.597 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -109.39 -0.01 19.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 73.34 110.329 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.718 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.3 tm? -49.66 -66.7 0.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 70.55 109.288 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.718 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.84 -32.35 40.76 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.451 1.094 . . . . 53.41 111.0 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.96 -34.88 79.12 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 0.785 . . . . 72.51 110.262 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.105 HD13 ' CE2' ' A' ' 94' ' ' TRP . 65.3 tp -71.92 -38.93 69.81 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 62.12 109.293 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.646 HE22 HG22 ' A' ' 122' ' ' VAL . 41.5 mm-40 -61.62 -18.39 59.26 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.448 1.093 . . . . 61.32 110.332 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -107.19 -14.25 14.95 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 75.42 109.328 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 16.5 tt0 -85.06 -53.98 4.93 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.509 1.131 . . . . 73.13 110.272 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.533 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -60.85 -14.98 25.47 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.523 1.139 . . . . 53.21 109.321 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.488 ' O ' ' N ' ' A' ' 145' ' ' GLY . 21.0 mtm180 -90.9 -62.6 1.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.01 110.291 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -50.31 -22.26 1.73 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.453 1.096 . . . . 71.33 109.28 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . . . . . . . . . 11.9 mmp_? -84.35 -78.81 0.23 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.495 1.122 . . . . 50.25 110.313 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.569 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -65.26 -55.16 19.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.47 1.106 . . . . 71.31 108.312 -179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.488 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.17 68.28 0.83 Allowed Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.494 1.121 . . . . 72.13 111.006 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.972 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.78 -169.94 3.51 Favored 'General case' 0 C--N 1.324 -0.508 0 N-CA-C 108.003 -1.11 . . . . 70.25 108.003 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -114.71 61.21 0.68 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.491 1.12 . . . . 74.11 109.321 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.972 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 5.3 tt -70.12 -37.0 70.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.534 1.146 . . . . 73.52 109.328 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -41.28 -29.82 0.15 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 1.123 . . . . 54.0 109.317 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . 0.421 ' N ' ' C ' ' A' ' 148' ' ' ILE . . . 128.39 -10.77 6.47 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.478 1.111 . . . . 72.2 110.987 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -50.19 134.93 23.19 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.482 0.754 . . . . 64.2 109.294 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.468 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.4 Cg_endo -74.99 0.13 9.27 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.539 1.81 . . . . 51.41 111.034 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 110.27 -47.55 1.03 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.479 1.112 . . . . 62.34 111.027 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 8.2 t -74.96 63.15 1.19 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.497 0.763 . . . . 41.34 110.033 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.468 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 4.8 mm -135.31 134.82 52.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.497 1.123 . . . . 75.5 109.266 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.326 -0.426 0 O-C-N 124.461 1.101 . . . . 61.44 110.303 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 16.7 p80 . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 109.632 -0.507 . . . . 75.14 109.632 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.0 mpt? -99.25 125.9 44.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.157 . . . . 64.34 111.034 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.41 172.73 12.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.449 1.093 . . . . 53.43 109.277 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.4 t -89.92 100.35 13.18 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 54.1 108.33 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 21.8 p -121.37 -174.8 2.93 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 73.05 110.39 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -139.64 -85.5 0.11 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.493 1.121 . . . . 74.04 110.964 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.484 ' HG2' ' HB2' ' A' ' 117' ' ' ALA . 18.2 Cg_endo -75.03 -162.63 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.499 1.789 . . . . 71.4 110.967 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.52 ' C ' HG11 ' A' ' 96' ' ' VAL . 2.0 t 179.95 175.16 0.82 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.5 1.125 . . . . 45.25 109.981 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.497 ' N ' ' CD ' ' A' ' 9' ' ' PRO . 0.4 OUTLIER -67.28 -52.67 28.04 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.146 . . . . 74.02 109.328 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.497 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -74.98 -29.4 8.3 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.502 1.79 . . . . 65.51 110.988 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 58.7 m -46.89 -44.49 19.7 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.486 1.116 . . . . 53.25 110.061 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.575 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -62.95 -32.28 73.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 51.4 109.283 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.811 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -75.94 -32.76 59.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 73.35 110.986 -179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 6.4 t70 -69.34 -34.47 74.67 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.527 1.142 . . . . 73.55 109.319 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 42.6 mt -69.94 -29.67 41.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.537 1.148 . . . . 72.32 109.331 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.906 HD11 ' CD2' ' A' ' 43' ' ' LEU . 1.7 mt -58.41 -53.18 61.24 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.483 1.115 . . . . 65.54 109.295 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -70.13 -5.24 52.83 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.516 1.135 . . . . 64.55 110.99 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -111.62 17.96 19.48 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.442 0.731 . . . . 33.4 109.297 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.833 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.72 -66.1 0.94 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 74.44 109.34 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 22' ' ' LYS . . . 160.26 135.08 1.77 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.477 1.111 . . . . 24.51 111.004 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 19' ' ' GLY . 42.0 tp60 -36.51 -64.81 0.31 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.512 0.772 . . . . 73.32 110.312 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.95 -38.6 73.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.487 1.117 . . . . 73.22 109.284 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.833 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.1 OUTLIER -49.12 -30.03 6.08 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.545 1.153 . . . . 74.4 109.283 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.524 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.1 OUTLIER -75.16 -65.02 0.93 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 75.12 109.304 -179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.55 ' CD2' ' HZ1' ' A' ' 27' ' ' LYS . 68.3 mt -42.74 -56.44 3.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.51 1.131 . . . . 73.01 109.278 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -52.13 -59.2 4.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.479 1.112 . . . . 72.1 111.004 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.986 HD21 ' OE1' ' A' ' 106' ' ' GLU . 10.4 mt -40.17 -66.81 0.28 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.53 1.144 . . . . 42.04 109.307 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.707 ' HE3' HD11 ' A' ' 51' ' ' LEU . 0.0 OUTLIER -46.22 -62.52 1.3 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.498 1.124 . . . . 74.3 109.277 -179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.544 ' CE1' ' HZ3' ' A' ' 27' ' ' LYS . 86.9 m-70 -41.51 -28.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 74.43 109.625 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 27' ' ' LYS . 2.4 tttp -82.33 -53.99 5.58 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 70.34 109.285 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.789 HD23 ' O ' ' A' ' 40' ' ' GLN . 6.3 mp -56.54 -18.94 13.36 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 72.31 109.31 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 30' ' ' LEU . 15.0 mmtt -35.75 -37.79 0.11 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.12 . . . . 72.22 109.295 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.454 ' O ' HG22 ' A' ' 32' ' ' THR . 0.4 OUTLIER -109.76 112.86 58.1 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.589 1.181 . . . . 51.4 110.356 -179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 159.06 41.95 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.481 1.78 . . . . 72.14 111.018 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.42 ' N ' ' HD2' ' A' ' 34' ' ' ARG . 2.1 mmm-85 -100.52 162.44 20.78 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 71.14 110.296 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 97.52 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.526 1.803 . . . . 51.32 110.973 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 93.99 29.18 9.99 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.526 1.142 . . . . 72.33 111.013 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -101.79 127.73 48.45 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.27 -1.011 . . . . 44.42 108.27 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.439 ' NE2' ' CD ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -128.05 1.67 5.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.128 . . . . 75.0 110.314 179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -102.44 -26.84 7.09 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.498 1.124 . . . . 63.32 111.002 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.789 ' O ' HD23 ' A' ' 30' ' ' LEU . 15.4 tt0 -79.3 -55.31 5.18 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.558 0.799 . . . . 62.41 110.252 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.843 ' CB ' HD21 ' A' ' 64' ' ' LEU . 7.4 t0 -54.9 -37.63 66.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.445 1.091 . . . . 62.21 109.263 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.642 HD11 HG21 ' A' ' 73' ' ' VAL . 0.1 OUTLIER -61.77 -44.22 97.3 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 64.53 109.327 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 1.034 HD11 HD21 ' A' ' 103' ' ' LEU . 0.6 OUTLIER -65.63 -34.11 77.46 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.47 1.107 . . . . 71.3 109.273 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.464 ' O ' HD23 ' A' ' 48' ' ' LEU . 3.3 t-160 -58.3 -22.25 52.16 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.462 1.101 . . . . 75.32 109.558 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.625 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -90.59 -20.06 23.01 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.476 1.11 . . . . 74.32 109.289 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.621 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 54.3 mtp -97.52 -7.82 30.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 73.0 111.039 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.649 HG23 HD23 ' A' ' 43' ' ' LEU . 19.8 t -92.08 -55.01 6.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 73.23 109.32 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.941 HD13 HD12 ' A' ' 51' ' ' LEU . 0.9 OUTLIER -40.1 -42.83 1.5 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 74.15 109.284 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.489 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.8 mt -53.01 -55.65 22.02 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 75.44 109.293 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.716 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 2.0 mmmp? -44.37 -27.5 0.44 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 75.44 109.327 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.941 HD12 HD13 ' A' ' 48' ' ' LEU . 5.8 mt -85.8 -47.59 9.57 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.559 1.162 . . . . 64.24 109.332 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.25 11.65 8.76 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.555 1.159 . . . . 73.52 111.032 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -125.6 82.41 2.06 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 0.766 . . . . 65.31 110.279 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -73.59 -19.04 60.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 74.43 110.284 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . . . . . . . . . 1.1 m -38.44 -36.87 0.26 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.572 1.17 . . . . 74.1 110.408 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -84.72 -44.38 13.42 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 72.21 110.321 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.469 ' HB1' ' HA ' ' A' ' 45' ' ' ALA . . . -45.42 -36.92 4.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 74.32 109.286 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 76.2 mtp180 -63.63 -48.12 78.58 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 63.45 110.327 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . . . . . . . . . 1.7 mp -56.29 -46.22 81.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.132 . . . . 74.25 109.321 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.479 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.3 OUTLIER -62.45 -46.66 87.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.56 1.162 . . . . 74.1 110.018 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.685 HD22 ' O ' ' A' ' 70' ' ' ALA . 10.3 mt -57.56 -38.82 75.42 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 74.43 109.311 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.455 ' O ' ' CG ' ' A' ' 65' ' ' LYS . 11.2 tt0 -71.24 -18.06 62.46 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.521 1.138 . . . . 54.41 110.302 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.479 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -77.1 -2.31 33.6 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.136 . . . . 41.21 109.301 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.843 HD21 ' CB ' ' A' ' 41' ' ' ASP . 1.7 mt -123.14 51.27 1.46 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.472 1.108 . . . . 62.21 109.294 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . 0.455 ' CG ' ' O ' ' A' ' 62' ' ' GLU . 32.2 mtmt -62.14 -15.38 45.41 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 1.148 . . . . 53.43 109.277 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -84.7 -25.46 28.37 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.48 1.112 . . . . 52.34 109.313 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -93.83 133.23 37.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.461 1.1 . . . . 75.55 109.291 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.458 ' HB3' ' HB3' ' A' ' 89' ' ' PRO . . . -91.08 -2.1 57.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 74.42 109.328 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.872 HG22 ' HG2' ' A' ' 89' ' ' PRO . 73.8 t -84.51 -39.08 14.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.457 1.098 . . . . 64.14 109.313 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.685 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -53.56 -56.88 13.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.479 1.112 . . . . 61.42 109.288 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.449 ' NH1' ' O ' ' A' ' 65' ' ' LYS . 1.0 OUTLIER -53.51 -52.99 57.84 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.419 1.074 . . . . 74.34 110.279 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.618 HD13 ' C ' ' A' ' 72' ' ' LEU . 1.3 tm? -63.01 -23.34 67.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.474 1.109 . . . . 63.21 109.323 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.806 HG22 ' HZ3' ' A' ' 77' ' ' TRP . 5.8 t -92.53 -3.86 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.473 1.108 . . . . 64.22 109.268 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.055 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -87.64 -37.72 16.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 62.33 109.287 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.7 HH21 ' HA ' ' A' ' 86' ' ' PRO . 4.2 ptt-85 -98.79 -6.25 29.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.494 1.121 . . . . 74.1 110.312 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.572 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -89.49 -46.83 8.4 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.537 1.148 . . . . 74.21 110.308 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.811 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 16.5 m-90 -106.03 -59.16 1.82 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 74.1 108.004 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.055 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -53.18 -50.97 63.54 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 74.32 109.322 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 95.46 25.68 13.38 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.562 1.164 . . . . 41.43 110.969 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.717 HG21 ' HB1' ' A' ' 74' ' ' ALA . 98.4 t -45.69 170.18 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 0.772 . . . . 52.5 109.292 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.59 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.3 OUTLIER -81.92 15.07 2.41 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 75.12 109.347 179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.462 ' O ' ' CD ' ' A' ' 75' ' ' ARG . 52.8 m -74.4 56.06 0.64 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.529 1.143 . . . . 64.1 110.0 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.502 ' O ' ' O ' ' A' ' 84' ' ' GLU . 17.0 p -50.8 -15.45 0.29 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 63.42 110.436 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.502 ' O ' ' O ' ' A' ' 83' ' ' THR . 19.8 mm-40 -40.19 167.19 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 72.34 110.273 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.402 ' CB ' ' OE1' ' A' ' 87' ' ' GLU . 0.3 OUTLIER -62.3 114.14 10.89 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 70.23 109.284 -179.979 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.7 ' HA ' HH21 ' A' ' 75' ' ' ARG . 18.4 Cg_endo -74.98 54.61 3.68 Favored 'Trans proline' 0 C--N 1.359 1.109 0 O-C-N 124.496 1.787 . . . . 70.02 111.0 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.417 ' N ' ' OE1' ' A' ' 87' ' ' GLU . 1.8 mm-40 -60.02 -179.39 0.1 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.542 1.151 . . . . 64.15 110.32 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -103.85 126.21 32.49 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.46 1.1 . . . . 71.53 110.267 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.872 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.94 173.99 13.54 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.534 1.808 . . . . 74.23 111.051 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -6.75 18.43 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.502 1.79 . . . . 61.3 111.004 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.656 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -120.54 24.64 10.22 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.495 1.122 . . . . 73.04 109.273 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -42.92 -43.88 1.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.541 1.151 . . . . 74.32 109.341 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' VAL . 1.5 t -103.05 -38.5 7.3 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 73.21 110.017 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.061 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.2 t90 -46.05 -57.21 4.64 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.486 1.117 . . . . 71.54 107.986 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.417 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -49.51 -32.29 11.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 73.11 109.274 -179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.52 HG11 ' C ' ' A' ' 7' ' ' SER . 5.8 t -76.6 -32.31 20.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 65.21 109.288 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.757 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -70.27 -40.3 74.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.451 1.094 . . . . 73.05 109.311 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.563 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 9.2 mtt180 -75.13 -26.5 59.24 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.495 1.122 . . . . 54.31 110.304 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.701 ' CD2' HD12 ' A' ' 43' ' ' LEU . 6.9 tt -73.65 -54.93 6.98 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.516 1.135 . . . . 74.43 109.301 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.575 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 4.1 m-85 -62.6 -23.07 66.85 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.525 1.141 . . . . 61.23 110.977 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.56 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 0.8 OUTLIER -65.04 -21.86 66.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 72.21 109.58 179.989 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.453 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 0.7 OUTLIER -96.85 -26.13 15.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.485 1.116 . . . . 72.52 109.298 -179.984 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 1.034 HD21 HD11 ' A' ' 43' ' ' LEU . 91.0 mt -70.65 -18.06 62.86 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 71.11 109.313 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . 0.838 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -83.72 -2.36 56.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.451 1.095 . . . . 70.14 109.295 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.2 mt-10 -99.58 -16.85 18.11 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.526 1.141 . . . . 73.02 110.261 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.986 ' OE1' HD21 ' A' ' 26' ' ' LEU . 1.5 pt-20 -106.94 -1.23 22.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.559 1.162 . . . . 72.11 110.269 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 25.6 mmtt 70.43 30.22 3.3 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.473 1.108 . . . . 74.42 109.326 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.502 ' CD1' ' OE1' ' A' ' 106' ' ' GLU . 18.9 mt -88.43 -27.93 21.22 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 34.23 109.31 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.488 ' SG ' HD13 ' A' ' 113' ' ' LEU . 4.5 t -160.3 138.54 7.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 60.03 108.278 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.419 ' C ' ' N ' ' A' ' 112' ' ' SER . 18.4 Cg_endo -74.98 145.33 31.39 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.464 1.771 . . . . 60.14 111.023 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.624 ' HB1' ' SG ' ' A' ' 144' ' ' CYS . . . -47.63 -24.35 0.88 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.131 . . . . 54.32 109.26 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.419 ' N ' ' C ' ' A' ' 110' ' ' PRO . 1.2 m -37.81 -45.97 0.88 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 54.31 110.044 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.488 HD13 ' SG ' ' A' ' 109' ' ' CYS . 6.9 mp -76.33 -52.27 10.28 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 73.22 109.283 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.838 HH21 ' CB ' ' A' ' 104' ' ' ALA . 12.3 ttm180 -38.14 -30.96 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.149 . . . . 73.04 110.296 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.476 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 0.5 OUTLIER -75.17 -63.55 1.25 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 72.2 109.311 179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 40.1 t -43.97 -40.94 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 61.01 109.281 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.484 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -61.37 -57.26 13.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 73.21 109.292 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.891 ' O ' HG13 ' A' ' 122' ' ' VAL . 2.1 m-85 -48.52 -40.13 25.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 71.42 110.972 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.451 ' O ' HG22 ' A' ' 122' ' ' VAL . 84.6 mt-30 -57.74 -45.95 85.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.138 . . . . 65.23 110.284 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -65.73 -10.53 37.66 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.567 1.167 . . . . 53.53 110.291 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.572 ' CB ' HD21 ' A' ' 136' ' ' LEU . . . -96.97 -29.91 13.39 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.463 1.102 . . . . 75.1 109.291 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.891 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.0 OUTLIER -82.49 -30.36 9.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.484 1.115 . . . . 63.44 109.338 -179.992 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.61 -33.05 62.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 71.33 110.343 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -77.8 -36.73 50.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 73.01 110.373 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.694 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 5.0 mp -80.12 -34.56 37.72 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.494 1.122 . . . . 72.02 109.321 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 122' ' ' VAL . 31.7 t -70.32 -40.72 74.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.502 1.126 . . . . 52.32 110.017 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 53.4 p -60.73 -43.5 97.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.447 1.092 . . . . 73.23 110.01 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.446 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 1.5 ptt85 -95.61 1.81 53.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.516 1.135 . . . . 75.11 110.278 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.448 ' N ' ' O ' ' A' ' 125' ' ' LEU . 18.2 t0 44.17 48.06 7.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 72.53 109.302 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.49 ' OD1' ' CG ' ' A' ' 132' ' ' ARG . 29.1 t0 -50.08 177.29 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.13 109.29 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -93.79 -0.37 55.9 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 74.43 109.519 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.49 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -116.04 -1.43 12.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 75.23 110.275 -179.943 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.771 HD13 ' N ' ' A' ' 134' ' ' GLY . 1.4 tm? -48.86 -69.23 0.12 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.482 1.114 . . . . 61.35 109.311 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.771 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -48.84 -33.5 13.21 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.501 1.125 . . . . 74.55 111.036 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -68.63 -33.32 73.81 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 0.776 . . . . 74.52 110.302 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.061 HD13 ' CE2' ' A' ' 94' ' ' TRP . 58.9 tp -72.31 -41.09 66.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 62.42 109.341 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.785 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 38.8 mm-40 -63.18 -14.59 50.68 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 71.31 110.286 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -106.58 -4.35 19.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 73.11 109.328 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.428 ' O ' ' CG ' ' A' ' 143' ' ' ARG . 7.6 tt0 -99.4 -45.49 5.82 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.497 1.123 . . . . 54.34 110.303 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.495 ' HB2' ' CD1' ' A' ' 118' ' ' TYR . . . -69.21 -13.01 62.17 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.481 1.113 . . . . 61.23 109.287 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 145' ' ' GLY . 48.5 mtm180 -94.28 -60.15 1.79 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.554 1.159 . . . . 74.34 110.328 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -51.01 -21.85 2.01 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.461 1.101 . . . . 72.22 109.3 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.56 ' HD3' ' CE1' ' A' ' 101' ' ' HIS . 12.9 mmp_? -84.99 -77.87 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 75.21 110.323 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.624 ' SG ' ' HB1' ' A' ' 111' ' ' ALA . 0.0 OUTLIER -65.87 -55.54 16.51 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 63.14 108.301 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 102.27 67.73 0.79 Allowed Glycine 0 CA--C 1.529 0.932 0 O-C-N 124.517 1.136 . . . . 73.02 111.026 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.968 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -149.15 -170.7 3.7 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 108.003 -1.11 . . . . 74.34 108.003 179.987 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -113.39 61.14 0.65 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.556 1.16 . . . . 73.41 109.335 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.968 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 4.8 tt -70.2 -12.73 16.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.505 1.128 . . . . 74.1 109.277 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.785 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -80.63 2.51 25.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 44.33 109.282 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 70.97 15.1 73.91 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.495 1.122 . . . . 32.3 110.987 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -51.9 163.75 0.63 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.461 0.742 . . . . 72.14 109.293 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.23 9.16 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.529 1.805 . . . . 64.42 110.969 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 81.9 21.67 60.92 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.504 1.128 . . . . 41.12 111.014 -179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.1 m 65.53 29.69 11.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.541 0.789 . . . . 63.3 109.993 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.883 HD12 ' N ' ' A' ' 156' ' ' ARG . 1.3 pp -92.24 -175.87 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.108 . . . . 75.42 109.274 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.883 ' N ' HD12 ' A' ' 155' ' ' ILE . 9.5 ptt-85 . . . . . 0 C--N 1.324 -0.506 0 O-C-N 124.515 1.134 . . . . 71.11 110.328 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 109.564 -0.532 . . . . 62.31 109.564 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -53.1 168.35 0.14 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.135 . . . . 70.24 110.999 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -44.88 144.95 1.04 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.529 1.143 . . . . 65.13 109.276 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 50.4 t -109.56 71.45 0.77 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.504 1.128 . . . . 74.31 108.268 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 34.0 m -72.45 155.81 39.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 61.31 110.42 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -84.18 -83.04 0.98 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.543 1.152 . . . . 52.01 111.015 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.587 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.2 Cg_endo -75.05 -162.93 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.541 1.811 . . . . 65.23 110.986 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 2.3 t -179.94 172.77 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.462 1.101 . . . . 74.04 110.026 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.668 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -67.58 -52.13 28.4 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 64.12 109.292 -179.995 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.507 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.1 Cg_endo -75.03 -26.33 10.97 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.485 1.782 . . . . 63.34 111.012 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.439 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 20.3 m -49.8 -45.71 50.19 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 75.25 110.022 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.905 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -61.03 -31.85 71.48 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.484 1.115 . . . . 64.32 109.263 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.793 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -76.28 -31.72 58.41 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.098 . . . . 61.22 111.033 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -70.96 -40.34 72.02 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 74.33 109.304 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.885 HG21 ' SG ' ' A' ' 109' ' ' CYS . 10.8 mt -69.23 -19.27 23.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.122 . . . . 72.05 109.295 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.833 HD11 ' CD1' ' A' ' 43' ' ' LEU . 0.5 OUTLIER -69.48 -56.27 7.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 54.14 109.315 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.439 ' CA ' ' HE3' ' A' ' 50' ' ' LYS . . . -66.7 -8.81 49.32 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.486 1.116 . . . . 75.22 111.021 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -101.91 16.45 25.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.48 0.753 . . . . 73.42 109.318 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.807 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -101.07 -77.69 0.54 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.553 1.158 . . . . 71.3 109.299 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.792 ' O ' HD22 ' A' ' 23' ' ' LEU . . . 175.94 137.36 2.56 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.515 1.134 . . . . 70.4 111.014 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -42.9 -48.27 5.8 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 0.756 . . . . 73.25 110.316 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 3.7 p30 -76.2 -28.35 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.53 1.144 . . . . 72.3 109.33 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.807 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -58.68 -26.37 63.76 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.489 1.118 . . . . 53.43 109.256 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.792 HD22 ' O ' ' A' ' 19' ' ' GLY . 0.0 OUTLIER -87.39 -55.49 3.78 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 41.42 109.336 179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.595 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 77.4 mt -47.64 -41.68 22.74 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.46 1.1 . . . . 72.15 109.299 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.57 ' CG ' ' N ' ' A' ' 26' ' ' LEU . 0.7 OUTLIER -62.83 -75.56 0.08 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.127 . . . . 75.35 111.005 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.57 ' N ' ' CG ' ' A' ' 25' ' ' TYR . 50.8 mt -39.09 -38.61 0.49 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.509 1.13 . . . . 70.41 109.306 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.46 ' HE2' ' CD1' ' A' ' 51' ' ' LEU . 0.0 OUTLIER -54.42 -55.98 23.28 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.548 1.155 . . . . 72.32 109.324 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.595 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 90.2 m-70 -64.45 -12.15 40.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.13 . . . . 73.34 109.547 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 8.0 tttt -86.79 -39.44 15.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 71.14 109.343 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.816 HD11 HD23 ' A' ' 43' ' ' LEU . 3.1 mt -69.43 -21.93 63.7 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.513 1.133 . . . . 72.53 109.311 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.436 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 23.8 mmtt -39.06 -31.42 0.07 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.505 1.128 . . . . 73.21 109.305 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.443 ' N ' ' C ' ' A' ' 30' ' ' LEU . 1.8 m -114.69 90.54 22.32 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 72.32 110.4 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 157.44 42.9 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 72.02 111.026 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.491 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.0 OUTLIER -95.47 165.27 17.07 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.47 1.106 . . . . 73.21 110.309 -179.982 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 97.56 1.09 Allowed 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.506 1.793 . . . . 73.24 111.017 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 107.63 6.05 33.35 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.508 1.13 . . . . 65.32 110.991 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -68.62 124.69 24.31 Favored 'General case' 0 C--N 1.325 -0.489 0 N-CA-C 108.257 -1.016 . . . . 64.14 108.257 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.492 ' OE1' ' CZ ' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -122.0 -4.71 9.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.473 1.108 . . . . 75.22 110.277 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.505 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.94 -33.6 3.21 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.474 1.109 . . . . 55.41 111.039 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.582 ' HG2' HD22 ' A' ' 30' ' ' LEU . 1.1 tt0 -72.96 -62.23 1.53 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 0.747 . . . . 64.34 110.289 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.74 ' HB3' HD11 ' A' ' 64' ' ' LEU . 4.7 t0 -54.57 -41.76 70.22 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 61.33 109.277 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . . . . . . . . . 18.7 tp -61.85 -55.49 29.31 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.59 1.181 . . . . 54.53 109.318 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.833 ' CD1' HD11 ' A' ' 15' ' ' LEU . 4.0 tp -56.22 -31.57 63.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.489 1.118 . . . . 70.31 109.297 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.563 ' CD2' ' HB2' ' A' ' 30' ' ' LEU . 5.7 t-160 -56.94 -28.28 61.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.12 . . . . 73.43 109.595 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.51 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -84.93 -23.02 29.01 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.535 1.147 . . . . 61.42 109.303 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.607 ' HA ' ' CZ ' ' A' ' 12' ' ' PHE . 48.6 mtp -91.19 -8.61 48.08 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.519 1.137 . . . . 75.44 110.977 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.772 HG23 ' O ' ' A' ' 43' ' ' LEU . 98.6 t -93.88 -53.93 7.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 45.23 109.305 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.503 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.1 mm? -40.22 -45.43 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.509 1.131 . . . . 51.42 109.313 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.592 ' N ' HD23 ' A' ' 49' ' ' LEU . 2.4 mt -51.86 -57.86 8.13 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.521 1.138 . . . . 54.15 109.319 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.439 ' HE3' ' CA ' ' A' ' 16' ' ' GLY . 21.7 mmtt -42.81 -28.33 0.24 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.1 . . . . 73.3 109.312 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.671 HD23 ' N ' ' A' ' 51' ' ' LEU . 0.8 OUTLIER -84.88 -45.56 12.15 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 53.24 109.276 -179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 114.94 18.25 6.47 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.465 1.103 . . . . 44.24 110.995 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.654 HE21 HD12 ' A' ' 51' ' ' LEU . 0.1 OUTLIER -131.76 81.03 1.95 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.508 0.769 . . . . 71.4 110.293 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' THR . 2.1 pt-20 -71.8 -18.91 62.07 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 63.4 110.35 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.498 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.61 -38.16 0.38 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 63.33 110.38 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' ILE . 3.2 mm-40 -82.48 -47.77 11.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.495 1.122 . . . . 73.33 110.34 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.51 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -42.38 -40.14 2.42 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 73.01 109.317 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 68.5 mtp180 -62.07 -47.53 84.28 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 72.4 110.296 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.498 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.4 mp -54.73 -59.9 1.94 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.465 1.103 . . . . 71.25 109.29 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.454 ' O ' ' HB3' ' A' ' 63' ' ' ALA . 0.2 OUTLIER -51.52 -45.78 63.05 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.472 1.108 . . . . 73.45 110.053 -179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.708 HD22 ' O ' ' A' ' 70' ' ' ALA . 11.4 mt -55.25 -39.53 69.87 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.501 1.125 . . . . 51.42 109.273 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -75.85 -18.18 59.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.472 1.107 . . . . 54.24 110.275 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . 0.454 ' HB3' ' O ' ' A' ' 60' ' ' SER . . . -73.87 -4.37 34.53 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.103 . . . . 52.55 109.294 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.74 HD11 ' HB3' ' A' ' 41' ' ' ASP . 0.8 OUTLIER -122.62 54.32 1.22 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 52.43 109.31 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 40.5 mtpt -55.06 -22.54 16.38 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.472 1.108 . . . . 74.25 109.286 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.71 -59.31 2.83 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.529 1.143 . . . . 43.32 109.285 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -57.24 120.31 7.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 75.23 109.311 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.433 ' HA ' ' NH1' ' A' ' 71' ' ' ARG . . . -81.58 -1.54 46.78 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.457 1.098 . . . . 61.31 109.283 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.636 HG21 ' HB3' ' A' ' 91' ' ' ASP . 2.9 t -93.96 -7.72 10.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.143 . . . . 60.1 109.327 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.708 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -88.56 -19.33 26.47 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.467 1.104 . . . . 73.13 109.287 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.448 ' O ' ' NH1' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -89.27 -30.63 18.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.525 1.14 . . . . 63.43 110.289 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.695 HD23 ' NH2' ' A' ' 75' ' ' ARG . 1.9 tm? -82.88 -37.41 24.33 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.135 . . . . 61.42 109.296 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.766 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 3.8 t -70.66 -4.5 4.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 72.43 109.299 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.881 ' HB1' HG21 ' A' ' 80' ' ' VAL . . . -79.83 -63.27 1.45 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.133 . . . . 63.14 109.304 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.695 ' NH2' HD23 ' A' ' 72' ' ' LEU . 0.1 OUTLIER -78.41 -7.5 57.43 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.123 . . . . 64.22 110.265 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.571 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.6 tp60 -84.97 -43.97 13.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 62.2 110.282 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.793 ' CD1' ' CE2' ' A' ' 12' ' ' PHE . 13.6 m-90 -117.08 -59.55 1.94 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.506 1.129 . . . . 74.14 108.04 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 0.8 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -50.26 -24.94 3.21 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 62.31 109.294 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.491 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 67.88 26.43 73.91 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.533 1.146 . . . . 53.43 110.993 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.881 HG21 ' HB1' ' A' ' 74' ' ' ALA . 97.1 t -45.61 169.8 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.513 0.773 . . . . 75.23 109.359 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.583 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.9 OUTLIER -83.8 16.23 2.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 73.53 109.338 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.477 ' HB2' ' CG ' ' A' ' 75' ' ' ARG . 26.3 m -75.64 54.3 0.77 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.56 1.163 . . . . 72.41 110.041 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . 0.449 ' O ' ' O ' ' A' ' 84' ' ' GLU . 14.7 p -47.6 -20.12 0.24 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.154 . . . . 63.23 110.425 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.449 ' O ' ' O ' ' A' ' 83' ' ' THR . 44.7 mt-10 -38.16 159.7 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.119 . . . . 54.53 110.307 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -49.12 142.18 10.33 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.473 1.108 . . . . 74.54 109.312 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 53.76 3.43 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.492 1.785 . . . . 63.13 110.99 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . 0.45 ' OE2' ' N ' ' A' ' 88' ' ' GLU . 2.4 tp10 -54.02 132.91 43.36 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.455 1.097 . . . . 75.14 110.348 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.465 ' HB3' HG11 ' A' ' 92' ' ' VAL . 7.0 mt-10 -92.86 128.63 42.94 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.536 1.148 . . . . 75.52 110.289 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.455 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.4 Cg_endo -74.99 165.4 31.41 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.46 1.768 . . . . 50.35 110.999 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 2.09 7.04 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.454 1.765 . . . . 60.23 110.994 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.636 ' HB3' HG21 ' A' ' 69' ' ' VAL . 0.4 OUTLIER -116.94 25.71 10.32 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.488 1.118 . . . . 52.13 109.316 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.714 ' O ' HG23 ' A' ' 96' ' ' VAL . 0.0 OUTLIER -48.71 -79.33 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.545 1.153 . . . . 73.33 109.306 179.959 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.488 ' H ' HG23 ' A' ' 92' ' ' VAL . 47.3 m -65.66 -49.28 69.19 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.447 1.092 . . . . 53.52 109.99 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.981 ' CE2' HD13 ' A' ' 136' ' ' LEU . 3.6 t90 -40.63 -65.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.542 1.151 . . . . 75.22 107.973 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.593 ' HB2' HG21 ' A' ' 69' ' ' VAL . . . -41.47 -56.67 2.45 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.429 1.081 . . . . 73.43 109.303 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.714 HG23 ' O ' ' A' ' 92' ' ' VAL . 26.3 t -46.05 -39.53 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.41 1.068 . . . . 72.34 109.314 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.471 ' N ' ' O ' ' A' ' 94' ' ' TRP . . . -70.87 -36.95 73.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.502 1.126 . . . . 63.05 109.271 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.644 HH21 ' CD ' ' A' ' 139' ' ' GLU . 3.1 mtt180 -75.31 -19.22 59.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.532 1.145 . . . . 74.31 110.29 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.742 HD11 HD13 ' A' ' 43' ' ' LEU . 1.7 tp -83.62 -41.29 17.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.533 1.146 . . . . 74.02 109.354 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.905 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.1 m-85 -72.07 -37.23 69.66 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.489 1.118 . . . . 71.51 110.992 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . 0.486 ' CE1' ' HD3' ' A' ' 143' ' ' ARG . 5.1 t60 -47.12 -25.46 0.88 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.119 . . . . 70.53 109.578 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.511 ' CD1' ' N ' ' A' ' 40' ' ' GLN . 5.7 mt -92.4 -34.17 14.26 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.475 1.109 . . . . 64.35 109.281 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.502 HD11 ' HB1' ' A' ' 11' ' ' ALA . 97.1 mt -64.96 -13.55 57.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.109 . . . . 65.55 109.293 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -84.4 -11.83 55.55 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.454 1.096 . . . . 65.33 109.315 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -99.64 -20.54 16.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.531 1.145 . . . . 74.44 110.315 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 5.3 mm-40 -87.89 -18.14 29.84 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.464 1.103 . . . . 75.14 110.267 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 32.7 mmtt 77.5 30.64 0.49 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 72.51 109.298 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 71.9 mt -99.94 -34.03 10.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.137 . . . . 71.32 109.314 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.885 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.4 m -137.32 149.38 65.49 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.51 1.131 . . . . 73.42 108.319 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 161.72 38.33 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.5 1.789 . . . . 72.24 110.976 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . 0.529 ' CB ' HH21 ' A' ' 114' ' ' ARG . . . -74.24 -6.14 46.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.534 1.146 . . . . 74.33 109.276 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 78.3 p -65.24 -44.58 87.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 75.03 109.987 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.716 HD23 ' HE2' ' A' ' 100' ' ' TYR . 0.5 OUTLIER -64.86 -36.93 85.93 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.521 1.138 . . . . 75.31 109.274 -179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.532 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.1 ttp180 -53.45 -29.58 36.34 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 74.22 110.31 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.513 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 7.6 m-20 -81.13 -67.61 0.76 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 50.52 109.29 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . . . . . . . . . 21.3 t -40.79 -37.4 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.459 1.099 . . . . 74.42 109.322 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -66.76 -53.98 27.51 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 64.34 109.306 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.532 ' CD2' ' O ' ' A' ' 114' ' ' ARG . 1.6 m-85 -53.15 -42.86 66.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 75.2 110.965 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . . . . . . . . . 77.6 mt-30 -53.78 -54.45 38.09 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 71.31 110.26 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -55.32 -18.61 6.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 64.34 110.269 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.519 ' O ' HD23 ' A' ' 125' ' ' LEU . . . -100.06 -23.67 14.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 1.13 . . . . 75.53 109.266 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.674 HG13 ' OE1' ' A' ' 137' ' ' GLN . 17.7 t -80.65 -24.65 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.503 1.127 . . . . 72.35 109.277 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 124' ' ' THR . 0.2 OUTLIER -90.08 -28.24 19.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 61.3 110.335 -179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.517 HG23 HD22 ' A' ' 125' ' ' LEU . 2.0 t -76.97 -36.74 56.25 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 61.32 110.433 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.519 HD23 ' O ' ' A' ' 121' ' ' ALA . 2.0 mm? -72.44 -38.17 68.39 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.122 . . . . 70.43 109.255 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 15.3 m -75.17 -51.06 14.31 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 70.23 110.008 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 12.9 t -48.32 -37.27 16.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.493 1.121 . . . . 72.34 109.979 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.531 HH21 ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -97.4 -18.44 19.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.525 1.14 . . . . 73.21 110.295 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.428 ' N ' ' O ' ' A' ' 125' ' ' LEU . 6.1 m-20 59.76 61.86 1.84 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.491 1.119 . . . . 72.15 109.279 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.531 ' CG ' HH21 ' A' ' 128' ' ' ARG . 33.5 t0 -75.48 178.14 6.17 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 61.32 109.304 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 10.1 p80 -88.03 -8.42 55.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.477 1.111 . . . . 65.23 109.621 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . 0.481 ' CG ' ' OD1' ' A' ' 130' ' ' ASP . 0.3 OUTLIER -108.96 9.01 26.59 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 73.33 110.325 179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.858 HD13 ' N ' ' A' ' 134' ' ' GLY . 0.7 OUTLIER -60.67 -67.8 0.36 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.49 1.119 . . . . 62.4 109.287 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.858 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -52.87 -19.83 7.41 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.494 1.121 . . . . 60.31 110.977 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -80.9 -31.04 35.33 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 0.777 . . . . 73.34 110.32 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.981 HD13 ' CE2' ' A' ' 94' ' ' TRP . 31.7 tp -74.36 -37.64 63.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.41 109.309 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.674 ' OE1' HG13 ' A' ' 122' ' ' VAL . 44.8 mm-40 -63.17 -19.66 64.7 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.564 1.165 . . . . 74.45 110.331 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -104.42 -2.99 24.62 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.115 . . . . 74.05 109.311 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.644 ' CD ' HH21 ' A' ' 98' ' ' ARG . 5.8 tt0 -97.97 -46.21 5.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 63.1 110.305 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.426 ' HA ' ' CZ ' ' A' ' 118' ' ' TYR . . . -69.41 -15.65 63.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.446 1.091 . . . . 71.22 109.334 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.475 ' O ' ' N ' ' A' ' 145' ' ' GLY . 16.2 mtm180 -95.5 -61.13 1.52 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.5 1.125 . . . . 74.4 110.306 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . . . . . . . . . 44.2 t-20 -49.79 -23.12 1.68 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.518 1.136 . . . . 62.34 109.308 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.499 ' CG ' ' O ' ' A' ' 139' ' ' GLU . 13.6 mmp_? -85.94 -79.08 0.25 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.464 1.102 . . . . 72.13 110.312 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.584 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -63.88 -56.25 16.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.531 1.145 . . . . 64.23 108.308 179.974 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 100.92 70.21 0.89 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.533 1.145 . . . . 74.11 111.009 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.957 ' CZ2' HD12 ' A' ' 148' ' ' ILE . 0.2 OUTLIER -150.6 -170.68 3.72 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 107.984 -1.117 . . . . 75.54 107.984 179.989 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -112.0 62.98 0.62 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.44 1.088 . . . . 74.35 109.326 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.957 HD12 ' CZ2' ' A' ' 146' ' ' TRP . 3.4 tt -74.84 -28.03 21.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.554 1.158 . . . . 52.02 109.287 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.632 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -62.33 -16.48 54.51 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.46 1.1 . . . . 64.32 109.275 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 98.42 20.75 19.05 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.526 1.141 . . . . 70.21 111.01 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.59 155.12 41.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 73.34 109.338 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 -11.6 21.54 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.474 1.776 . . . . 73.44 111.023 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 121.17 -43.11 1.57 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.12 . . . . 71.1 110.98 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 1.5 t 167.01 106.31 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 0.761 . . . . 64.55 110.015 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.463 HG22 ' N ' ' A' ' 156' ' ' ARG . 5.3 mm -121.96 163.85 19.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.513 1.133 . . . . 72.12 109.34 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . 0.463 ' N ' HG22 ' A' ' 155' ' ' ILE . 5.7 tmm_? . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.117 . . . . 61.44 110.284 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.598 -0.519 . . . . 71.52 109.598 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 36.8 mtt -147.05 -178.63 6.31 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.121 . . . . 63.42 111.004 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.3 101.74 10.19 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 41.11 109.305 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 1.2 t -171.37 171.16 5.65 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.105 . . . . 71.33 108.329 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 1.4 t -39.39 148.5 0.06 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 75.05 110.386 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -161.65 -67.88 0.02 OUTLIER Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.557 1.161 . . . . 74.44 110.955 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.678 ' HD3' HD13 ' A' ' 113' ' ' LEU . 18.3 Cg_endo -75.0 -165.23 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.509 1.794 . . . . 64.21 110.988 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . . . . . . . . . 1.2 t 171.43 -58.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.545 1.153 . . . . 74.25 110.043 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.858 HD22 ' CH2' ' A' ' 77' ' ' TRP . 0.3 OUTLIER 175.99 -57.43 0.0 OUTLIER Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.508 1.13 . . . . 61.34 109.326 179.969 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.454 ' HD3' ' CB ' ' A' ' 8' ' ' LEU . 18.2 Cg_endo -75.0 -29.68 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.446 1.761 . . . . 72.24 110.986 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -48.8 -47.78 41.85 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 62.0 109.973 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.631 ' HB2' ' CE2' ' A' ' 100' ' ' TYR . . . -61.72 -40.0 93.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.506 1.129 . . . . 61.42 109.323 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.757 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.3 OUTLIER -64.3 -35.96 82.56 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 64.5 110.976 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 33.0 t0 -63.84 -45.61 88.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 74.34 109.298 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . 0.844 HG21 ' SG ' ' A' ' 109' ' ' CYS . 21.3 mt -68.24 -20.09 25.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 73.02 109.31 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.589 HD21 ' O ' ' A' ' 46' ' ' MET . 2.7 tp -75.33 -38.47 60.2 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 70.05 109.273 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . 0.403 ' HA2' ' CE ' ' A' ' 50' ' ' LYS . . . -84.14 8.39 67.41 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.557 1.16 . . . . 73.42 111.037 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -121.62 12.64 10.74 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.544 0.79 . . . . 74.35 109.306 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.785 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.55 -77.33 0.37 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.591 1.182 . . . . 61.23 109.299 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.42 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 177.42 137.56 2.76 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.505 1.128 . . . . 62.44 111.019 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.42 ' C ' ' O ' ' A' ' 19' ' ' GLY . 33.2 tp60 -36.38 -64.98 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 0.739 . . . . 62.51 110.327 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.469 ' O ' ' N ' ' A' ' 24' ' ' LEU . 3.3 t70 -62.1 -40.22 95.11 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.501 1.126 . . . . 73.52 109.245 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.785 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 0.0 OUTLIER -41.55 -31.94 0.31 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 61.43 109.279 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.688 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -79.92 -45.62 18.22 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.457 1.098 . . . . 72.34 109.344 179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.614 ' O ' ' CD2' ' A' ' 28' ' ' HIS . 3.7 mm? -55.93 -53.46 56.57 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.486 1.116 . . . . 54.43 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.521 ' CE2' ' CD2' ' A' ' 26' ' ' LEU . 1.3 t80 -50.9 -73.1 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 73.52 111.018 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.521 ' CD2' ' CE2' ' A' ' 25' ' ' TYR . 87.3 mt -47.46 -37.42 11.7 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.497 1.123 . . . . 55.53 109.26 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.581 ' HZ2' ' CE1' ' A' ' 28' ' ' HIS . 0.0 OUTLIER -59.37 -43.98 92.79 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 73.1 109.297 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.614 ' CD2' ' O ' ' A' ' 24' ' ' LEU . 93.3 m-70 -79.27 -7.0 57.95 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.434 1.084 . . . . 72.05 109.581 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 11.5 tttp -87.36 -51.55 5.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 74.03 109.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.679 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.2 mt -52.57 -21.3 3.71 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.569 1.168 . . . . 44.44 109.271 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.433 ' C ' ' O ' ' A' ' 30' ' ' LEU . 11.2 mmtp -37.66 -33.06 0.06 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.48 1.113 . . . . 74.14 109.284 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.442 ' N ' ' C ' ' A' ' 30' ' ' LEU . 2.8 m -114.08 91.78 24.03 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 22.42 110.396 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 162.86 36.3 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.514 1.797 . . . . 64.23 110.959 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . 0.476 ' N ' ' CD ' ' A' ' 34' ' ' ARG . 0.1 OUTLIER -99.08 166.07 13.71 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.122 . . . . 65.41 110.252 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 97.75 1.1 Allowed 'Trans proline' 0 C--N 1.361 1.21 0 O-C-N 124.479 1.778 . . . . 64.11 111.003 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.87 11.53 39.93 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.51 1.131 . . . . 72.51 110.986 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.0 p -69.84 127.07 31.62 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 108.26 -1.015 . . . . 63.2 108.26 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.413 ' NE2' ' HD3' ' A' ' 98' ' ' ARG . 0.0 OUTLIER -125.3 -0.57 7.66 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 70.33 110.335 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.49 ' C ' ' CD1' ' A' ' 102' ' ' LEU . . . -106.59 -29.01 4.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 31.13 110.992 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.494 ' CG ' HD22 ' A' ' 30' ' ' LEU . 3.0 tt0 -78.82 -64.72 1.11 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.523 0.778 . . . . 63.45 110.279 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.764 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.7 t0 -47.14 -42.51 19.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 65.24 109.288 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.475 HD21 ' CG1' ' A' ' 69' ' ' VAL . 15.4 tp -62.47 -49.73 74.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.494 1.121 . . . . 70.11 109.268 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.96 ' O ' HG23 ' A' ' 47' ' ' VAL . 24.8 tp -59.2 -30.45 68.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.488 1.118 . . . . 62.15 109.302 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.596 ' O ' HD23 ' A' ' 48' ' ' LEU . 2.3 t-160 -65.27 -19.72 66.09 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.457 1.098 . . . . 63.25 109.587 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.502 ' HA ' ' CB ' ' A' ' 57' ' ' ALA . . . -90.7 -20.72 22.14 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.481 1.113 . . . . 62.12 109.319 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.676 ' SD ' HD11 ' A' ' 99' ' ' LEU . 66.7 mtp -94.02 -18.99 21.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 72.11 110.999 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.96 HG23 ' O ' ' A' ' 43' ' ' LEU . 35.5 t -88.84 -45.87 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 71.1 109.293 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.622 ' HA ' HD23 ' A' ' 51' ' ' LEU . 0.3 OUTLIER -46.5 -35.14 5.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.499 1.125 . . . . 70.34 109.285 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.67 HD22 ' HB3' ' A' ' 77' ' ' TRP . 4.2 mp -67.98 -40.84 83.02 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.486 1.117 . . . . 72.42 109.301 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.622 ' HZ2' ' HB3' ' A' ' 50' ' ' LYS . 1.8 mmmp? -51.75 -22.04 3.25 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.519 1.137 . . . . 71.01 109.329 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 47' ' ' VAL . 0.5 OUTLIER -95.59 -50.87 4.77 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.531 1.144 . . . . 65.13 109.307 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 117.27 30.35 1.92 Allowed Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.471 1.107 . . . . 73.41 110.983 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.545 ' NE2' ' CD1' ' A' ' 48' ' ' LEU . 0.1 OUTLIER -135.17 59.75 1.72 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.519 0.776 . . . . 73.41 110.308 179.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.421 ' O ' ' N ' ' A' ' 56' ' ' GLU . 1.8 pt-20 -51.34 -21.35 2.16 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 74.53 110.298 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.5 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.0 OUTLIER -38.04 -31.94 0.06 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.493 1.121 . . . . 53.33 110.409 179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . 0.421 ' N ' ' O ' ' A' ' 54' ' ' GLU . 1.0 OUTLIER -89.64 -49.97 6.34 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 61.25 110.348 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.502 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -40.81 -37.95 0.85 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.517 1.136 . . . . 73.13 109.307 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 77.6 mtp180 -64.99 -50.27 66.96 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.127 . . . . 75.45 110.292 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.5 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.3 mp -55.96 -42.02 69.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.501 1.126 . . . . 74.21 109.282 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -64.14 -54.23 37.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.431 1.082 . . . . 74.43 109.972 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.786 HD13 ' HB2' ' A' ' 74' ' ' ALA . 5.1 mt -53.83 -37.43 63.59 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.491 1.119 . . . . 60.42 109.355 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -61.92 -32.45 72.85 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.475 1.109 . . . . 75.12 110.31 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -69.71 -8.65 49.7 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 1.118 . . . . 63.44 109.333 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.764 HD21 ' CB ' ' A' ' 41' ' ' ASP . 0.3 OUTLIER -121.43 45.76 2.22 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 72.03 109.301 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.95 -15.27 29.38 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.101 . . . . 72.55 109.303 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -86.0 -21.97 27.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.52 1.137 . . . . 75.12 109.339 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -93.71 104.8 16.88 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 54.42 109.346 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -60.94 -15.03 26.67 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.493 1.121 . . . . 64.13 109.328 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.686 HG21 ' O ' ' A' ' 91' ' ' ASP . 0.9 OUTLIER -76.03 -36.9 32.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.533 1.145 . . . . 61.45 109.279 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.582 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -63.09 -70.52 0.2 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.479 1.112 . . . . 62.12 109.312 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.415 ' NE ' ' HA ' ' A' ' 68' ' ' ALA . 0.0 OUTLIER -48.72 -22.24 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 72.14 110.332 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.801 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.6 OUTLIER -86.76 -33.26 20.01 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.479 1.112 . . . . 71.41 109.251 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.902 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 9.9 t -78.67 -6.47 9.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.551 1.157 . . . . 74.32 109.282 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.107 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -84.9 -36.35 21.55 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.496 1.123 . . . . 54.03 109.271 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.468 ' HD2' ' CB ' ' A' ' 82' ' ' SER . 7.6 ptt-85 -98.7 -3.63 35.47 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 75.2 110.244 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.554 ' HB3' ' CE3' ' A' ' 77' ' ' TRP . 5.2 tp-100 -93.04 -45.53 7.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.504 1.128 . . . . 53.34 110.309 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.902 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.8 m-90 -106.78 -62.53 1.39 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.492 1.12 . . . . 75.23 108.004 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.107 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -44.58 -45.1 9.28 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 65.11 109.284 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 80' ' ' VAL . . . 96.5 19.25 28.15 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.524 1.14 . . . . 43.43 110.986 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.847 HG23 ' O ' ' A' ' 74' ' ' ALA . 88.1 t -46.08 170.7 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.522 0.777 . . . . 65.23 109.304 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.587 ' N ' HG12 ' A' ' 80' ' ' VAL . 0.5 OUTLIER -76.03 4.86 7.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.133 . . . . 62.43 109.326 179.991 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' A' ' 75' ' ' ARG . 70.3 p 53.58 54.24 10.31 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.514 1.134 . . . . 74.33 109.991 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 27.9 p -49.69 -21.99 1.22 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.529 1.143 . . . . 62.24 110.364 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -102.96 -168.96 1.59 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.437 1.086 . . . . 74.31 110.269 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.5 t0 -88.23 122.09 70.0 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.529 1.143 . . . . 75.41 109.301 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 82.72 1.95 Allowed 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.538 1.809 . . . . 70.53 111.01 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 23.7 pt-20 -146.14 138.02 25.01 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 54.33 110.268 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.501 ' HG2' HG21 ' A' ' 92' ' ' VAL . 20.6 mt-10 -47.42 120.01 6.8 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 74.13 110.311 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.723 ' HD2' HG23 ' A' ' 92' ' ' VAL . 18.3 Cg_endo -74.97 170.71 19.81 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.552 1.817 . . . . 62.23 111.015 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 -1.57 11.41 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.513 1.796 . . . . 64.22 110.994 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.686 ' O ' HG21 ' A' ' 69' ' ' VAL . 3.8 m-20 -118.64 27.94 8.61 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.512 1.132 . . . . 74.24 109.254 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.778 HG22 HD12 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -67.94 -40.88 84.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.504 1.127 . . . . 73.02 109.291 179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.605 ' O ' ' HB2' ' A' ' 97' ' ' ALA . 1.4 m -95.16 -24.51 16.8 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.108 . . . . 73.02 110.025 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 1.103 ' CE2' HD13 ' A' ' 136' ' ' LEU . 2.9 t90 -74.62 -70.67 0.39 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 72.33 108.015 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.607 ' HB3' HG21 ' A' ' 69' ' ' VAL . . . -39.76 -55.91 1.84 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.123 . . . . 71.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.511 ' CG1' ' N ' ' A' ' 97' ' ' ALA . 0.9 OUTLIER -56.12 -50.66 69.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.52 1.137 . . . . 74.44 109.323 -179.975 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.605 ' HB2' ' O ' ' A' ' 93' ' ' SER . . . -51.55 -33.1 30.72 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 74.45 109.291 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.594 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 31.4 mtt180 -81.56 -23.65 37.03 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 72.12 110.324 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.676 HD11 ' SD ' ' A' ' 46' ' ' MET . 1.3 tt -73.15 -43.62 61.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.522 1.139 . . . . 75.53 109.331 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.631 ' CE2' ' HB2' ' A' ' 11' ' ' ALA . 6.9 m-85 -69.57 -14.94 63.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.142 . . . . 73.15 110.966 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -67.82 -22.8 65.14 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.14 . . . . 63.23 109.592 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.49 ' CD1' ' C ' ' A' ' 39' ' ' GLY . 0.5 OUTLIER -95.15 -32.95 12.83 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.53 1.144 . . . . 72.1 109.298 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.713 HD13 ' SG ' ' A' ' 109' ' ' CYS . 12.5 mt -61.77 -28.84 69.74 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.571 1.17 . . . . 73.41 109.314 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.11 -9.96 58.95 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 62.01 109.254 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -99.78 -20.68 16.11 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.524 1.14 . . . . 65.42 110.312 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -89.05 -17.22 29.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 72.14 110.332 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 11.9 mmtp 76.02 30.39 0.73 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 62.32 109.313 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . . . . . . . . . 52.8 mt -99.54 -37.08 9.31 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 71.54 109.26 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . 0.844 ' SG ' HG21 ' A' ' 14' ' ' ILE . 3.6 m -136.01 150.88 72.61 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.459 1.1 . . . . 65.3 108.302 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -179.52 5.06 Favored 'Trans proline' 0 C--N 1.361 1.201 0 O-C-N 124.466 1.771 . . . . 51.42 110.998 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -82.76 -15.04 53.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.48 1.112 . . . . 74.4 109.286 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . 0.706 ' O ' HG23 ' A' ' 116' ' ' VAL . 37.4 m -53.75 -47.12 70.96 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.493 1.121 . . . . 72.41 110.004 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . 0.678 HD13 ' HD3' ' A' ' 6' ' ' PRO . 2.0 mm? -62.42 -41.84 99.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 74.44 109.303 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.609 ' O ' ' CD2' ' A' ' 118' ' ' TYR . 5.0 ttp180 -56.31 -33.81 65.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.526 1.141 . . . . 71.51 110.326 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.519 ' OD1' ' CZ3' ' A' ' 146' ' ' TRP . 0.8 OUTLIER -81.78 -66.03 0.94 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.522 1.139 . . . . 61.11 109.268 -179.98 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.706 HG23 ' O ' ' A' ' 112' ' ' SER . 38.6 t -40.2 -39.39 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 75.13 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.428 ' CB ' ' HA ' ' A' ' 97' ' ' ALA . . . -64.61 -57.86 7.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.124 . . . . 60.3 109.329 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.703 ' O ' HG13 ' A' ' 122' ' ' VAL . 3.4 m-85 -49.41 -46.57 47.72 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.471 1.107 . . . . 72.41 111.043 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.675 ' O ' HG22 ' A' ' 122' ' ' VAL . 81.7 mt-30 -49.57 -66.86 0.32 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.458 1.098 . . . . 71.3 110.293 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -45.71 -24.31 0.35 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.501 1.126 . . . . 72.21 110.314 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.663 ' HB3' ' O ' ' A' ' 118' ' ' TYR . . . -78.44 -46.43 19.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.478 1.111 . . . . 54.41 109.31 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.703 HG13 ' O ' ' A' ' 118' ' ' TYR . 1.5 m -61.52 -24.44 33.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 51.31 109.286 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.411 ' C ' ' N ' ' A' ' 125' ' ' LEU . 30.6 mmt180 -75.89 -70.94 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.563 1.165 . . . . 70.35 110.314 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . . . . . . . . . 1.1 t -43.43 -27.0 0.23 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.525 1.141 . . . . 75.11 110.408 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.566 HD11 ' CZ3' ' A' ' 94' ' ' TRP . 6.2 mt -86.07 -46.54 10.37 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.543 1.152 . . . . 61.12 109.267 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 12.5 t -55.19 -51.43 66.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 64.42 110.01 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 2.1 t -53.16 -54.01 42.15 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.484 1.115 . . . . 72.23 110.016 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.439 ' NH2' ' CG ' ' A' ' 130' ' ' ASP . 0.0 OUTLIER -80.01 4.75 16.05 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.127 . . . . 74.31 110.29 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.5 m-20 40.25 36.12 0.31 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.435 1.084 . . . . 73.13 109.327 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.439 ' CG ' ' NH2' ' A' ' 128' ' ' ARG . 12.5 t0 -40.16 157.99 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.505 1.128 . . . . 73.13 109.261 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 3.3 p-80 -80.89 3.3 23.2 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.473 1.108 . . . . 61.44 109.568 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -115.87 -7.79 11.99 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 74.54 110.278 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.636 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -45.19 -69.46 0.13 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.49 1.119 . . . . 72.04 109.271 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.636 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -49.43 -34.25 18.74 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.497 1.123 . . . . 65.12 111.028 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -68.71 -30.6 69.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.777 . . . . 71.32 110.326 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 1.103 HD13 ' CE2' ' A' ' 94' ' ' TRP . 39.9 tp -74.7 -40.39 61.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 73.45 109.316 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.812 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 45.9 mm-40 -63.01 -12.11 23.73 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.531 1.145 . . . . 74.12 110.278 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -105.75 -21.25 13.22 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 1.114 . . . . 71.52 109.28 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -81.05 -61.2 2.03 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.489 1.118 . . . . 63.53 110.315 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.566 ' HB1' ' CG ' ' A' ' 118' ' ' TYR . . . -51.19 -21.78 2.23 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 1.149 . . . . 64.22 109.295 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.499 ' CD ' ' O ' ' A' ' 146' ' ' TRP . 35.0 mtm180 -85.35 -59.24 2.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.431 1.082 . . . . 73.43 110.324 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.658 ' HB3' HH21 ' A' ' 143' ' ' ARG . 0.9 OUTLIER -50.01 -22.72 1.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 74.43 109.304 179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.658 HH21 ' HB3' ' A' ' 142' ' ' ASN . 5.7 mmp_? -83.66 -79.0 0.21 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.499 1.124 . . . . 74.41 110.304 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.585 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.1 OUTLIER -65.0 -55.24 20.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 63.22 108.254 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 101.57 62.5 0.76 Allowed Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.492 1.12 . . . . 70.31 110.989 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.892 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.1 OUTLIER -142.03 -169.43 2.93 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 108.022 -1.103 . . . . 73.23 108.022 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -114.49 59.54 0.68 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.459 1.1 . . . . 71.12 109.288 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.892 HD12 ' CH2' ' A' ' 146' ' ' TRP . 7.7 tt -61.99 -34.46 63.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.489 1.118 . . . . 74.43 109.303 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.812 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -52.19 -21.98 3.87 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.505 1.128 . . . . 73.02 109.318 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 97.06 18.66 28.58 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.497 1.123 . . . . 74.33 110.956 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . 0.444 ' CG ' HD11 ' A' ' 155' ' ' ILE . 15.3 m-20 -86.37 165.16 34.91 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.47 0.747 . . . . 64.23 109.302 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . 0.48 ' HD2' ' CG1' ' A' ' 155' ' ' ILE . 18.3 Cg_endo -74.99 0.38 8.97 Favored 'Trans proline' 0 C--N 1.361 1.204 0 O-C-N 124.473 1.775 . . . . 64.22 110.994 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 56.02 21.36 31.0 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.524 1.14 . . . . 63.2 110.985 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -136.74 17.18 3.08 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 72.31 109.983 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . 0.48 ' CG1' ' HD2' ' A' ' 152' ' ' PRO . 2.4 pp -131.57 150.66 34.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 54.44 109.265 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 22.0 ttp180 . . . . . 0 C--N 1.325 -0.468 0 O-C-N 124.5 1.125 . . . . 74.34 110.306 179.985 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 0' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 . . . . . 0 N--CA 1.453 -0.275 0 N-CA-C 109.606 -0.516 . . . . 64.12 109.606 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.5 mpt? -126.93 151.78 48.02 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.483 1.114 . . . . 72.21 111.005 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -125.01 178.46 5.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 52.34 109.258 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 4.0 m -115.68 43.47 2.08 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 72.03 108.279 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 6.5 t -98.54 171.41 8.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 43.01 110.416 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -103.13 -83.69 1.73 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.519 1.137 . . . . 63.03 111.008 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' PRO . . . . . 0.529 ' HB3' ' CE2' ' A' ' 100' ' ' TYR . 18.4 Cg_endo -74.94 -169.16 0.59 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.482 1.78 . . . . 61.24 111.034 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' SER . . . . . 0.403 ' OG ' ' O ' ' A' ' 6' ' ' PRO . 1.4 m -170.14 179.51 3.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 1.113 . . . . 43.15 109.967 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.596 HD13 ' HH2' ' A' ' 77' ' ' TRP . 0.2 OUTLIER -68.78 -52.42 17.92 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.455 1.097 . . . . 73.43 109.285 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.505 ' CD ' ' N ' ' A' ' 8' ' ' LEU . 18.3 Cg_endo -75.0 -32.94 4.96 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.515 1.797 . . . . 74.24 111.009 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . 0.422 ' CB ' ' OH ' ' A' ' 100' ' ' TYR . 73.8 m -44.15 -48.44 9.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 70.05 110.001 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.979 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . . . -59.41 -41.14 88.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 65.51 109.292 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.804 ' CE2' ' CD1' ' A' ' 77' ' ' TRP . 0.4 OUTLIER -63.54 -35.44 80.48 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 73.3 110.956 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -65.71 -50.0 66.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.5 1.125 . . . . 71.45 109.291 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 6.8 mt -64.11 -18.07 22.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 70.32 109.329 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.702 HD21 ' O ' ' A' ' 46' ' ' MET . 1.9 tp -75.78 -33.59 60.19 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.123 . . . . 72.54 109.278 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -86.71 8.44 75.48 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 72.52 110.999 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -128.5 17.15 6.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.468 0.746 . . . . 60.13 109.287 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ALA . . . . . 0.884 ' HB1' ' HG2' ' A' ' 22' ' ' LYS . . . -88.1 -75.84 0.41 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 74.23 109.303 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.426 ' O ' ' C ' ' A' ' 20' ' ' GLN . . . 174.29 139.36 2.95 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.486 1.116 . . . . 73.24 111.012 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . 0.426 ' C ' ' O ' ' A' ' 19' ' ' GLY . 12.7 tp60 -36.69 -64.37 0.35 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.508 0.769 . . . . 72.4 110.302 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.428 ' OD2' ' N ' ' A' ' 22' ' ' LYS . 0.8 OUTLIER -58.7 -41.33 86.02 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 73.04 109.298 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.884 ' HG2' ' HB1' ' A' ' 18' ' ' ALA . 3.3 tptt -44.19 -33.28 1.49 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.511 1.132 . . . . 75.53 109.304 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD13 ' N ' ' A' ' 23' ' ' LEU . 0.0 OUTLIER -72.19 -59.72 2.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.529 1.143 . . . . 75.02 109.273 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.575 ' CD2' ' HZ3' ' A' ' 27' ' ' LYS . 48.5 mt -46.54 -67.3 0.29 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 63.34 109.298 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TYR . . . . . 0.498 ' O ' ' N ' ' A' ' 29' ' ' LYS . 5.8 t80 -35.91 -67.44 0.16 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.473 1.108 . . . . 62.45 110.999 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.613 HD12 ' O ' ' A' ' 22' ' ' LYS . 15.3 mt -40.76 -56.41 2.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.529 1.143 . . . . 71.5 109.269 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.577 ' HE2' HD11 ' A' ' 51' ' ' LEU . 3.0 ttpt -46.44 -64.51 0.74 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.497 1.123 . . . . 64.24 109.306 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' HIS . . . . . 0.488 ' N ' ' HG2' ' A' ' 27' ' ' LYS . 54.1 m-70 -63.51 -9.54 13.48 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 1.131 . . . . 72.51 109.623 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.498 ' N ' ' O ' ' A' ' 25' ' ' TYR . 0.6 OUTLIER -91.18 -26.68 18.94 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.462 1.101 . . . . 71.54 109.32 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LEU . . . . . 0.661 ' N ' HD23 ' A' ' 30' ' ' LEU . 2.3 mt -90.42 -20.9 22.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.483 1.114 . . . . 51.41 109.318 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.462 ' CG ' ' HA ' ' A' ' 28' ' ' HIS . 18.4 mmtt -36.43 -33.73 0.05 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 61.21 109.331 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' HG22 ' A' ' 32' ' ' THR . 0.3 OUTLIER -105.64 107.67 59.85 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 72.45 110.35 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.06 135.79 19.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.5 1.789 . . . . 64.53 111.022 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -87.0 165.16 33.29 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.517 1.136 . . . . 54.23 110.322 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 97.72 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.511 1.795 . . . . 63.45 110.986 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 100.44 12.77 37.5 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.526 1.141 . . . . 72.03 111.029 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -68.92 115.2 7.96 Favored 'General case' 0 C--N 1.325 -0.478 0 N-CA-C 108.313 -0.995 . . . . 65.53 108.313 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.15 -9.65 9.94 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.534 1.146 . . . . 75.22 110.312 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . -107.87 -39.5 1.85 Allowed Glycine 0 CA--C 1.531 1.074 0 O-C-N 124.473 1.108 . . . . 44.44 110.963 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.641 ' CG ' HD22 ' A' ' 30' ' ' LEU . 9.4 tt0 -61.68 -64.79 0.83 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.541 0.789 . . . . 74.35 110.318 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASP . . . . . 0.858 ' CB ' HD21 ' A' ' 64' ' ' LEU . 5.2 t0 -48.13 -40.29 23.18 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 75.03 109.292 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LEU . . . . . 0.619 HD11 HG21 ' A' ' 73' ' ' VAL . 18.7 tp -60.78 -52.27 65.82 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.123 . . . . 72.42 109.302 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.977 ' O ' HG23 ' A' ' 47' ' ' VAL . 26.4 tp -58.5 -27.96 64.94 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 73.21 109.275 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' HIS . . . . . 0.624 ' O ' HD23 ' A' ' 48' ' ' LEU . 5.5 t-160 -62.09 -24.13 66.93 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.537 1.148 . . . . 61.13 109.581 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.629 ' HB2' ' HG ' ' A' ' 61' ' ' LEU . . . -88.27 -18.3 28.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.569 1.168 . . . . 72.5 109.266 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' MET . . . . . 0.702 ' O ' HD21 ' A' ' 15' ' ' LEU . 26.6 mtp -98.71 -12.77 20.67 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 72.33 110.967 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.977 HG23 ' O ' ' A' ' 43' ' ' LEU . 85.0 t -86.7 -57.84 3.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 63.35 109.286 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' LEU . . . . . 0.624 HD23 ' O ' ' A' ' 44' ' ' HIS . 1.7 mm? -41.27 -43.96 2.55 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 73.32 109.32 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.456 ' CD1' ' HB3' ' A' ' 77' ' ' TRP . 4.9 mt -53.27 -48.56 68.2 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.526 1.141 . . . . 74.44 109.263 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.643 ' HZ3' ' HA ' ' A' ' 50' ' ' LYS . 1.7 mmmp? -48.1 -24.7 1.18 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 52.03 109.334 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.619 HD12 HD13 ' A' ' 48' ' ' LEU . 0.7 OUTLIER -96.46 -32.29 12.39 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.486 1.117 . . . . 74.1 109.339 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 49' ' ' LEU . . . 102.62 8.27 43.44 Favored Glycine 0 CA--C 1.529 0.954 0 O-C-N 124.562 1.164 . . . . 71.24 110.995 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' GLN . . . . . 0.413 ' CG ' ' HB2' ' A' ' 51' ' ' LEU . 1.5 pt20 -111.31 70.25 0.71 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.46 0.741 . . . . 74.34 110.283 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.441 ' HB3' ' CD2' ' A' ' 49' ' ' LEU . 2.3 pt-20 -66.33 -18.55 65.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 75.3 110.302 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' THR . . . . . 0.494 ' O ' ' CD1' ' A' ' 59' ' ' ILE . 1.2 m -38.25 -34.17 0.12 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.522 1.139 . . . . 74.53 110.394 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -88.95 -43.47 11.13 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.46 1.1 . . . . 75.23 110.352 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ALA . . . . . 0.5 ' CB ' ' HA ' ' A' ' 45' ' ' ALA . . . -46.17 -36.67 6.17 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 62.13 109.321 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 74.0 mtp180 -66.4 -51.39 57.54 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 72.5 110.273 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 55' ' ' THR . 1.6 mp -55.58 -52.26 49.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.49 1.119 . . . . 64.12 109.285 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -54.54 -48.91 71.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 74.3 110.056 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.629 ' HG ' ' HB2' ' A' ' 45' ' ' ALA . 18.0 mt -56.31 -40.23 74.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.467 1.104 . . . . 71.21 109.323 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 11.0 tt0 -72.72 -14.12 61.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 65.24 110.313 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ALA . . . . . . . . . . . . . . . -87.8 10.66 17.71 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.464 1.102 . . . . 65.54 109.32 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.858 HD21 ' CB ' ' A' ' 41' ' ' ASP . 13.4 mt -122.94 52.81 1.32 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.473 1.108 . . . . 72.41 109.295 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LYS . . . . . . . . . . . . . 16.5 mmmt -55.55 -19.74 10.99 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 74.4 109.282 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -83.41 -54.88 4.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 43.14 109.303 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . 0.76 ' OD2' HD22 ' A' ' 64' ' ' LEU . 0.0 OUTLIER -68.69 128.92 38.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.532 1.145 . . . . 74.2 109.287 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' CB ' ' HB3' ' A' ' 89' ' ' PRO . . . -90.37 -13.14 35.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.14 . . . . 63.22 109.279 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.8 HG22 ' HG2' ' A' ' 89' ' ' PRO . 33.3 t -76.03 -13.49 14.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 73.03 109.307 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.584 ' O ' HD22 ' A' ' 61' ' ' LEU . . . -75.17 -54.0 7.86 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 55.41 109.294 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ARG . . . . . 0.424 ' CZ ' ' HA ' ' A' ' 68' ' ' ALA . 0.2 OUTLIER -63.94 -14.06 50.74 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 72.43 110.307 -179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.829 ' O ' HD22 ' A' ' 72' ' ' LEU . 0.3 OUTLIER -99.2 -30.84 12.04 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 73.13 109.29 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.818 HG22 ' CZ3' ' A' ' 77' ' ' TRP . 15.1 t -82.35 -6.41 9.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.456 1.097 . . . . 73.25 109.274 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 1.026 ' O ' ' HB3' ' A' ' 78' ' ' ALA . . . -86.03 -36.07 19.95 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.493 1.12 . . . . 75.4 109.29 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.75 ' NH2' HD23 ' A' ' 72' ' ' LEU . 6.3 ptt-85 -98.63 -6.4 29.9 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 71.02 110.291 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.458 ' HG2' ' CZ3' ' A' ' 77' ' ' TRP . 3.2 tp-100 -89.99 -44.59 9.76 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.47 1.106 . . . . 71.42 110.351 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.818 ' CZ3' HG22 ' A' ' 73' ' ' VAL . 24.0 m-90 -107.58 -58.99 1.89 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 62.34 108.024 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ALA . . . . . 1.026 ' HB3' ' O ' ' A' ' 74' ' ' ALA . . . -55.79 -45.36 78.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.454 1.096 . . . . 41.01 109.281 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLY . . . . . 0.475 ' N ' ' O ' ' A' ' 74' ' ' ALA . . . 78.34 40.95 18.04 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.485 1.116 . . . . 74.13 111.013 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' VAL . . . . . 0.531 HG23 ' N ' ' A' ' 81' ' ' ASP . 16.3 m -61.01 -145.42 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.451 0.736 . . . . 73.11 109.301 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.531 ' N ' HG23 ' A' ' 80' ' ' VAL . 1.4 t0 -100.89 24.48 9.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.573 1.17 . . . . 53.32 109.273 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . 0.51 ' H ' HG23 ' A' ' 80' ' ' VAL . 81.0 p 36.48 50.89 0.82 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.107 . . . . 64.33 109.965 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -44.75 -25.33 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 1.102 . . . . 75.23 110.373 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.422 ' HB2' ' NH1' ' A' ' 75' ' ' ARG . 3.4 mt-10 -104.49 -178.4 3.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 74.44 110.3 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.446 ' O ' ' NH2' ' A' ' 75' ' ' ARG . 0.0 OUTLIER -86.51 169.68 14.49 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.527 1.142 . . . . 72.42 109.314 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -12.42 21.55 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.485 1.781 . . . . 74.25 110.966 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.92 139.75 16.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.527 1.142 . . . . 74.12 110.293 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -78.59 146.59 69.78 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.526 1.141 . . . . 71.31 110.306 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PRO . . . . . 0.8 ' HG2' HG22 ' A' ' 69' ' ' VAL . 18.2 Cg_endo -75.01 171.19 18.8 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.493 1.786 . . . . 54.32 111.027 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -7.46 19.2 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.498 1.788 . . . . 63.51 110.986 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.771 ' OD2' HG23 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -119.25 24.53 10.69 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.506 1.129 . . . . 71.5 109.31 -179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.424 HG12 ' H ' ' A' ' 92' ' ' VAL . 0.2 OUTLIER -40.19 -40.95 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.531 1.144 . . . . 41.32 109.291 -179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' VAL . 3.2 m -106.45 -40.83 5.46 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.529 1.143 . . . . 72.53 109.994 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' TRP . . . . . 0.671 ' CZ3' HD21 ' A' ' 125' ' ' LEU . 3.3 t90 -43.06 -54.73 4.18 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.153 . . . . 73.05 108.017 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ALA . . . . . 0.456 ' CB ' HG21 ' A' ' 69' ' ' VAL . . . -52.6 -41.04 63.32 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.532 1.145 . . . . 75.13 109.311 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' VAL . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' SER . 21.6 t -62.96 -35.82 73.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 70.45 109.31 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' ALA . . . . . 0.531 ' HB1' ' CD1' ' A' ' 118' ' ' TYR . . . -73.1 -29.84 63.22 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.527 1.142 . . . . 54.34 109.304 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ARG . . . . . 0.591 ' NH2' ' CE2' ' A' ' 94' ' ' TRP . 15.9 mtt180 -86.4 -18.21 32.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 73.3 110.271 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 43' ' ' LEU . 1.2 tt -83.95 -46.44 12.08 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 65.44 109.263 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.979 ' CE1' ' HB2' ' A' ' 11' ' ' ALA . 5.0 m-85 -71.02 -7.06 43.71 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.512 1.133 . . . . 74.33 110.987 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -79.51 -17.06 54.91 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.53 1.144 . . . . 74.04 109.581 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.583 HD11 ' N ' ' A' ' 40' ' ' GLN . 1.5 mt -97.11 -36.61 10.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 70.44 109.287 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LEU . . . . . 0.454 HD22 HD12 ' A' ' 108' ' ' LEU . 34.5 mt -62.16 -26.75 68.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.548 1.155 . . . . 71.45 109.284 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ALA . . . . . . . . . . . . . . . -71.23 -10.71 60.2 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 55.12 109.285 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -99.58 -19.65 16.75 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 74.43 110.339 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLU . . . . . 0.451 ' OE2' ' N ' ' A' ' 106' ' ' GLU . 0.7 OUTLIER -90.23 -17.22 27.89 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.561 1.163 . . . . 71.53 110.295 179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LYS . . . . . . . . . . . . . 17.3 mmmt 77.37 54.08 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 71.14 109.273 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LEU . . . . . 0.454 HD12 HD22 ' A' ' 103' ' ' LEU . 88.7 mt -117.87 -39.57 3.09 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.467 1.104 . . . . 73.1 109.276 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' CYS . . . . . . . . . . . . . 1.6 p -133.76 155.8 80.04 Favored Pre-proline 0 C--N 1.325 -0.49 0 O-C-N 124.53 1.144 . . . . 73.04 108.338 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 154.12 42.57 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.515 1.797 . . . . 73.35 111.025 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ALA . . . . . . . . . . . . . . . -61.62 -14.75 33.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 62.32 109.317 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.1 m -60.79 -46.04 92.03 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 74.23 109.991 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' LEU . . . . . . . . . . . . . 16.6 mt -59.92 -43.46 94.89 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 71.31 109.252 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.469 ' CD ' ' SG ' ' A' ' 144' ' ' CYS . 3.7 ttp180 -50.67 -34.91 28.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 72.23 110.336 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.463 ' OD1' ' CE2' ' A' ' 146' ' ' TRP . 4.2 m-20 -74.33 -68.7 0.51 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 71.32 109.303 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' VAL . . . . . 0.418 HG12 ' HD2' ' A' ' 6' ' ' PRO . 62.6 t -40.05 -35.58 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.519 1.137 . . . . 71.41 109.335 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.411 ' HB2' ' HG2' ' A' ' 6' ' ' PRO . . . -64.73 -57.32 9.28 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 71.34 109.328 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' TYR . . . . . 0.708 ' O ' ' HB3' ' A' ' 121' ' ' ALA . 5.7 m-85 -51.37 -48.15 62.61 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 75.15 110.974 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLN . . . . . 0.705 ' O ' HG22 ' A' ' 122' ' ' VAL . 78.7 mt-30 -45.31 -63.21 0.99 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.508 1.13 . . . . 63.34 110.297 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' GLU . . . . . . . . . . . . . 55.7 mm-40 -45.99 -25.03 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.096 . . . . 73.2 110.316 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ALA . . . . . 0.83 ' HB1' HD11 ' A' ' 136' ' ' LEU . . . -76.72 -46.77 24.12 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.504 1.127 . . . . 74.53 109.281 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' VAL . . . . . 0.88 HG12 HD22 ' A' ' 136' ' ' LEU . 1.4 m -60.25 -24.39 30.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 74.22 109.288 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 125' ' ' LEU . 25.0 mmt180 -78.04 -69.66 0.53 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.434 1.084 . . . . 74.22 110.303 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' THR . . . . . 0.584 HG22 HD13 ' A' ' 125' ' ' LEU . 0.6 OUTLIER -39.92 -28.67 0.05 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.447 1.092 . . . . 62.24 110.389 -179.977 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LEU . . . . . 0.671 HD21 ' CZ3' ' A' ' 94' ' ' TRP . 4.7 mp -87.59 -58.91 2.4 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 64.24 109.318 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' SER . . . . . . . . . . . . . 11.2 t -41.22 -43.28 2.32 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.49 1.119 . . . . 71.3 109.997 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' SER . . . . . . . . . . . . . 13.9 t -57.64 -57.51 12.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.462 1.101 . . . . 73.1 110.026 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.95 5.88 14.98 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.467 1.105 . . . . 75.04 110.276 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.51 ' N ' ' O ' ' A' ' 125' ' ' LEU . 2.1 m-20 43.09 36.33 0.93 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 72.14 109.299 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ASP . . . . . 0.406 ' CB ' ' HG ' ' A' ' 125' ' ' LEU . 11.7 t0 -41.47 153.27 0.05 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 73.02 109.326 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' HIS . . . . . . . . . . . . . 5.8 p80 -76.75 -3.67 39.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.513 1.133 . . . . 73.3 109.593 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -109.53 -1.25 18.37 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.476 1.11 . . . . 73.4 110.285 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.65 HD13 ' N ' ' A' ' 134' ' ' GLY . 2.1 tm? -52.83 -69.66 0.11 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.498 1.124 . . . . 73.14 109.3 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . 0.65 ' N ' HD13 ' A' ' 133' ' ' LEU . . . -47.62 -34.48 10.12 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.499 1.125 . . . . 41.11 110.999 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -64.55 -35.3 80.52 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.477 0.751 . . . . 73.42 110.307 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' LEU . . . . . 0.88 HD22 HG12 ' A' ' 122' ' ' VAL . 5.4 tt -71.47 -40.04 70.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.461 1.1 . . . . 52.13 109.317 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLN . . . . . 0.809 ' HB3' ' HB2' ' A' ' 149' ' ' ALA . 48.2 mm-40 -63.14 -11.11 17.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 64.33 110.324 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' ASP . . . . . 0.463 ' HA ' ' NE ' ' A' ' 141' ' ' ARG . 31.0 t0 -107.9 -7.43 16.24 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 70.43 109.315 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' GLU . . . . . 0.413 ' C ' ' N ' ' A' ' 141' ' ' ARG . 26.5 tt0 -100.51 -51.85 3.5 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.48 1.113 . . . . 70.12 110.3 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' ALA . . . . . 0.872 ' HB3' HG21 ' A' ' 148' ' ' ILE . . . -47.29 -24.67 0.79 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 73.34 109.253 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' ARG . . . . . 0.561 ' O ' ' N ' ' A' ' 145' ' ' GLY . 6.4 ptp180 -94.86 -44.52 7.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.485 1.115 . . . . 71.1 110.298 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' ASN . . . . . 0.518 ' N ' ' CG ' ' A' ' 141' ' ' ARG . 25.8 t-20 -65.36 -9.69 26.93 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 74.12 109.28 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' ARG . . . . . 0.503 ' CB ' ' OH ' ' A' ' 118' ' ' TYR . 15.2 mmp_? -103.92 -41.12 5.97 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.086 . . . . 63.11 110.324 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' CYS . . . . . 0.592 ' HB3' ' CD1' ' A' ' 146' ' ' TRP . 0.0 OUTLIER -103.27 -56.48 2.21 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 72.54 108.31 179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' GLY . . . . . 0.561 ' N ' ' O ' ' A' ' 141' ' ' ARG . . . 107.58 70.27 0.71 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.41 1.069 . . . . 73.14 110.986 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' TRP . . . . . 0.87 ' CH2' HD12 ' A' ' 148' ' ' ILE . 0.5 OUTLIER -156.67 -172.69 4.16 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 108.006 -1.109 . . . . 75.02 108.006 179.978 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -111.29 63.73 0.61 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 72.31 109.32 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' ILE . . . . . 0.872 HG21 ' HB3' ' A' ' 140' ' ' ALA . 5.3 tt -64.41 -23.49 33.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.122 . . . . 71.53 109.282 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.809 ' HB2' ' HB3' ' A' ' 137' ' ' GLN . . . -73.78 -4.11 32.69 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 62.4 109.301 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' GLY . . . . . . . . . . . . . . . 78.29 29.74 52.37 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.495 1.122 . . . . 71.13 110.98 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ASP . . . . . . . . . . . . . 8.7 m-20 -79.16 158.77 74.12 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.472 0.748 . . . . 74.01 109.264 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.02 -2.39 12.47 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.501 1.79 . . . . 64.34 111.009 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.62 68.53 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 71.04 111.023 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' SER . . . . . . . . . . . . . 2.3 m 59.0 53.82 5.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 0.75 . . . . 74.13 110.006 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' ILE . . . . . . . . . . . . . 2.6 pt -133.62 161.07 41.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 75.41 109.258 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 74.4 110.308 179.988 . . . . . . . . 1 1 . 1 stop_ save_